course work for chemistry phd

Ph.D in Chemistry Course Work Syllabus

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Index of Ph.D Course work syllabus

Group-1 Inorganic Chemistry

Subject Code Subject

CHE-Ph.D-1 IN 1 Inorganic chemistry

CHE-Ph.D-1 IN 2 Fundamentals of chemical analysis

CHE-Ph.D-1 IN 3 Industrial inorganic chemistry

CHE-Ph.D-1 IN 4 Coordination chemistry

CHE-Ph.D-1 IN 5 Organometallic chemistry

CHE-Ph.D-1 IN 6 Bioinorganic chemistry

CHE-Ph.D-1 IN 7 Advanced inorganic chemistry

CHE-Ph.D-1 IN 8 Selected topics in inorganic chemistry

CHE-Ph.D-1 IN 9 Chemistry of inorganic materials

CHE-Ph.D-1 IN 10 Inorganic clusters and supra molecular chemistry

CHE-Ph.D-1 IN 11 Physical methods in inorganic chemistry

CHE-Ph.D-1 IN 12 Group theory and applied inorganic chemistry


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Group-II Organic Chemistry


CHE-PhD-2 OR 1

Organic chemistry –stereochemistry and reaction mechanism

CHE-PhD-2 OR 2 Organic reactions and mechanism

CHE-PhD-2 OR 3 Carbohydrates and peptides

CHE-PhD-2 OR 4 Advanced organic chemistry

CHE-PhD-2 OR 5 Organic spectroscopy

CHE-PhD-2 OR 6 Advanced organic synthesis

CHE-PhD-2 OR 7\ Drug and heterocyclic chemistry

CHE-PhD-2 OR 8 Bio organic chemistry

CHE-PhD-2 OR 9

Chemistry of natural products

CHE-PhD-2 OR 10 Conceptiual organic chemistry

CHE-PhD-2 OR 11

Organic industrial analysis


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Group-III Physical Chemistry


CHE-PhD-3 PH 1

Principles of physical chemistry

CHE-PhD-3 PH 2

Applied physical chemistry and chemical dynamics

CHE-PhD-3 PH 3 Advanced physical chemistry

CHE-PhD-3 PH 4 Solid state chemistry

CHE-PhD-3 PH 5 Equilibrium and statistical thermodynamics

CHE-PhD-3 PH 6 Chemical kinetics

CHE-PhD-3 PH 7

Surface, interfaces, dispersed systems and macromolecules

CHE-PhD-3 PH 8 Principles of quantum mechanics

CHE-PhD-3 PH 9 Photochemistry

CHE-PhD-3 PH 10 Nuclear and radio chemistry

CHE-PhD-3 PH 11

Electrochemistry

CHE-PhD-3 PH 12

Molecular and statistical reaction dynamics and scattering

CHE-PhD-3 PH 13

Surface chemistry

CHE-PhD-3 PH 14 Corrosion science and energy engineering


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Group-IV Analytical Chemistry & Allied Subjects


CHE-PhD-4 AN 1

Fundamentals of chemical analysis

CHE-PhD-4 AN 2

Separation techniques

CHE-PhD-4 AN 3 Advanced analytical chemistry.

CHE-PhD-4 AN 4 Applied analytical chemistry

CHE-PhD-4 AN 5 Spectroscopy

CHE-PhD-4 AN 6 Chemistry in industry

CHE-PhD-4 AN 7 Environmental chemistry

CHE-PhD-4 AN 8 Advanced optical spectroscopy

CHE-PhD-4 AN 9 Chemistry of the earth’s atmosphere

CHE-PhD-4 AN 10 Medicinal chemistry

CHE-PhD-4 AN 11 Food chemistry

CHE-PhD-4 AN 12 Polymer chemistry

CHE-PhD-4 AN 13 Chemical analysis in agro, food andPharmaceutical industries

CHE-PhD-4 AN 14 Advanced nano technology


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CHE-PhD-1 IN 1 BASICS OF INORGANIC CHEMISTRY

Unit-I

Wave mechanics : Origin of quantum theory, black body radiation, atomic spectra, photo electric effect, matter waves, wave nature of the electron, the wave equation, the theory of hydrogen atom, particle in one dimensional box, transformation of coordinates, Separation of variables and their significance.

Unit-II Stereochemistry and Bonding in main group compounds :VSEPR theory &drawbacks, P− P, P−d_ and d−d bonds, Bent rule, Hybridization involving f-orbital energies of hybridization, some simple reactions of covalently bonded molecules.

Unit-III a) Chemistry of transition elements: General characteristic properties of transition elements, co-ordination chemistryof transition metal ions, stereochemistry of coordination compounds, ligand fieldtheory, splitting of d orbitals in low symmetry environments, Jahn- Teller effect,Interpretation of electronic spectra including charge transfer spectra,spectrochemical series, nephelauxetic series, metal clusters, sandwich compounds,metal carbonyls b) Bioinorganic Chemistry : Role of metal ions in biological processes, structure and properties ofmetalloproteins in electron transport processes, cytochromes, ferrodoxins and iornsulphur proteins, ion transport across membranes, Biological nitrogen fixation, PSI,PS – II, Oxygen uptake proteins.

Unit-IV

Electronic, Electric and Optical behaviour of Inorg anic materials: Metals, Insulators and Semiconductors, Electronic structure of solid, band theory,band structure of metals, insulators and semiconductors, Intrinsic and extrinsicsemiconductors, doping of semiconductors and conduction mechanism, the bandgap, temperature dependence of conductivity, carrier density and carrier mobilityin semiconductors, synthesis and purification of semiconducting materials, singlecrystal growth, zone refining, fractional crystallization, semiconductor devices,rectifier transistors, optical devices, photoconductors, photovoltaic cells, solarbatteries. Reference: 1) A. F. Wells, Structural Inorganic Chemistry – 5th edition (1984) 2) J H Huheey, Inorganic Chemisry - Principles, structure and reactivity, Harper and Row Publisher, Inc. New York (1972) 3) J. D. Lee, Concise Inorganic Chemistry, Elbs with Chapman and Hall, London 4) A. R. West, Plenum, Solid State Chemistry and its applications 5) N. B. Hanney, Solid State Physics 6) H. V. Keer, Principles of Solid State 7) S. O. Pillai, Solid State Physics 8) W. D. Callister, Wiley, Material Science and Engineering: An Introduction 9) R. Raghwan, First Course in Material Science 10) R. W. Cahan, The coming of Material Science 11) A. R. West, Basic Solid State Chemistry, 2nd edition 12) U. Schubest and N. Husing, Synthesis of Inorganic Materials, Wiley VCH(2000)


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13) M. C. Day and J. Selbin, Theoretical Inorganic Chemistry, Reinhold, EWAP 14) A. H. Hanney, Solid State Chemistry, A. H. Publications 15) O. A. Phiops, Metals and Metabolism 16) Cullen Dolphin and James, Biological aspects of Inorganic Chemistry 17) Williams, An Introduction to Bioinorganic Chemistry 18) M. N. Hughes, Inorganic Chemistry of Biological Processes 19) Ochi, Bioinorganic Chemistry 20) John Wulff, The structure an properties of materials 21) L. V. Azoroff, J. J. Brophy, Electronic processes in materials, Mc Craw Hill 22) F. A. Cotton, R. G. Wilkinson. Advanced Inorganic chemistry 23) Willam L. Jooly, Modern Inorganic Chemistry 24) ManasChanda, Atomic Structure and Chemical bonding 25) N. N. Greenwood and A. Earnshaw, Chemistry of elements,.Pergamon 26) Chakraburty, Soild State Chemistry, New Age International 27) S. J. Lippard, J.M . Berg, Principles of bioinorganic Chemistry, University Scienc e Books 28) G. L. Eichhron, Inorganic Biochemistry, Vol I and II, Elesevier 29) Progress Inorganic chemistry ,Vol 18 and 38, J. J. Loppard, Wiley.


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CHE-PhD-1 IN 2 FUNDAMENTALS OF CHEMICAL ANALYSIS

Unit-I Analytical Inorganic chemistry -meaning and analytical prospective, scope and function: Analytical problems and their solutions, trends in analytical methods and procedures. Language of analytical chemistry analysis, determination and measurement. Techniques, methods, procedures and protocols. Classifying analytical techniques. Selecting an analytical method-accuracy, precision, sensitivity, selectivity, robustness and ruggedness. Scale ofoperation, equipment, time and cost. Making the final choice.

Unit-II Errors and treatment of analytical data: Limitations of analytical methods-Error-determinate and indeterminate errors, minimization of errors. Accuracy and precision. Distribution of random errors, the normal error curve. Statistical treatment of finite samples-measures of centraltendency and variability-mean, median, range, standard deviation and variance.Student’s t-test.Confidence interval of mean.Testing for significance-comparison of two means and twostandard deviations.Comparison of an experimental mean and a true mean.Criteria for therejection of an observation-Q-test.Propagation of errors-determinate errors and indeterminate errors.

Unit-III Standardization and calibration : Comparison with standards-direct comparison and titrations. External standard calibration-the least squares method, regression equation, regression coefficient. Internal standard methods and standard-addition methods. Figures of merit of analytical methods-sensitivity and detection limit, linear dynamic range. Obtaining and preparing samples for analysis : Importance of sampling, designing a sample plan-random, judgement, systematic-judgement, stratified and convenience sampling. Type of sample to collect-grab and composite samples. Insitu sampling. Size of sample and number of samples. Implementing the sampling plan-solutions, gases and solids. Bringing solid samples into solution-digestion and decomposing.

Unit-IV

Titrimetric analysis: An overview of titrimetry. Principles of titrimetric analysis. Titrationcurves. Titrations based on acid-base reactions-titration curves for strong acid - strong base,weak acid – strong base and weak base – strong acid titrations. Selecting and evaluating the end point. Finding the end point with visual indicators, end point by monitoring pH and temperature. Quantitative applications – selecting and standardizing a titrant, inorganic analysis-alkalinity,acidity and free CO2 in water and waste waters, nitrogen, sulphur, ammonium salts, nitrates and nitrites, carbonates and bicarbonates. Organic analysis-functional groups like carboxylic acid,sulphonic acid, amine, ester, hydroxyl and carbonyl. Air pollutants like SO2.Quantitativecalculations.Characterization applications-equivalent weights and equilibrium constants. Acid-base titrations in non-aqueous media: Role of solvent in acid-base titrations, solventsystems, differentiating ability of a solvent, some selected solvents, titrants and


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standards,titration curves, effect of water, determining the equivalence point, typical applicationsdetermination of carboxylic acids, phenols and amines. REFERENCES 1. Fundamental of Analytical Chemistry, D.A. Skoog, D.M. West, Holler and Crouch 8th edition, 2005, Saunders College Publishing, New York. 2. Analytical Chemistry, G.D. Christian, 5th ed., 2001 John Wiley & Sons, Inc, India. 3. Quantitative Analysis, R.A. Day and A.L. Underwood, 6th edition,1993 prentice Hall, Inc. New Delhi. 4. Vogel’s Textbook of Quantitative Chemical Analysis, J. Mendham, R.C. Denney, J.D. Barnes and M.J.K. Thomas, 6th edition, Third Indian Reprint.2003 Pearson Education Pvt. Ltd., New Delhi. 5. Analytical Chemistry Principles, John H. Kennedy, 2nd edition, Saunders College Publishing, California, 1990. 6. Principles and Practicals of Analytical Chemistry, F. W. Fifield and Kealey, 3rd edition, 2000, Blackwell Sci., Ltd. Malden, USA. 7. Modern Analytical Chemistry, David Harvey, McGraw Hill, New Delhi, 2000.


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CHE-PhD-1 IN 3 INDUSTRIAL INORGANIC CHEMISTRY

Unit – I

Nitrogen and nitrogen compounds : Industrial production and uses of ammonia and hydrazine. Nitrides of sulphur : (SN)2 and (SN)4 – Preparation, properties, structure and applications. Phosphonitrilepolymers and phosphazenes.

Unit-II Mineral fertilizers : Phosphorous containing fertilizers - Economic importance, importance of superphosphate, ammonium phosphates and their synthesis. Nitrogen containing fertilizers - Importance and synthesis of ammonium sulfate, ammonium nitrate andurea. Potassium containing fertilizers - Economic importance and manufacture of potassium sulfate. Silicon and its inorganic compounds : General information and manufacture of ferrosilicon, electronicgrade silicon and metallurgical grade silicon. Applications. Silicones : General methods of preparation (silicone oils and rubbers) and properties of silicones. Applications.

Unit –III Zeolites: Introduction, types of zeolites, manufacture of synthetic zeolites and applications. Inorganic fibers: Introduction, properties, classification, asbestos fibers, optical fibers, carbon fibers,Applications. Ceramics: General information, classification of ceramic products, composition and raw materials,Applications of clay ceramic products.

Unit-III Inorganic pigments: General information and economic importance,White pigments – titanium dioxide pigments, zinc oxide pigments.Colored pigments – Iron oxide, chromium oxide, mixed-metal oxide pigments and ceramic colorants.Corrosion protection pigments, luster pigments, luminescent pigments, magnetic pigments. REFERENCES: 1. Chemistry of the Elements – N.N. Greenwood and A. Earnshaw, Pergamon Press (1985). 2. Industrial Inorganic Chemistry – 2nd edn. K.H. Buchel, H.H. Moretto and P. Woditsh, Wiley- VCH (2000). 3. Inorganic polymers – G.R. Chatwal, HPH (1996).


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CHE-PhD-1 IN 4 COORDINATION CHEMISTRY

Unit-I

Preparation of coordination compounds: Introduction, Preparative methods- simple addition reactions, substitution reactions, oxidation-reduction reactions, thermal dissociation reactions, reactions of coordinated ligands, the trans effect, other methods. Geometries of metal complexes of higher coordination numbers (2-12). Stability of coordination compounds: Introduction, Stepwise and overall stability constants of coordination compounds, factors influencing the stability of metal complexes with reference to thenature of metal ion and ligand, the Irving-William series, chelate effect. Theoretical aspects of thedetermination of stability constants of the coordination compounds by spectrophotometric, pH metric,and polarographic methods. Crystal Field Theory: Salient features of CFT, d-orbital splitting in octahedral, tetrahedral, squareplanar and tetragonal complexes, measurement of 10Dq. Spectrochemical series, short comings of CFT.

Unit-II Experimental evidences for covalence and adjusted CFT. MOT applied to octahedral, tetrahedral andsquare planar complexes without and with pi-bonding. M.O.energy diagrams for octahedral complexes with sigma –ligands having pi- systems. Jahn –Teller effect. Electronic absorption spectra of transition metal c omplexes : Introduction, selection rules,electronic–dipole transitions, magnetic-dipole transitions, term symbols for dn ions, effects of spin orbit coupling, energy level diagrams, Orgel and Tanabe-Sugano diagrams, charge-transfertransitions. Magnetic properties of transition metal complexes: Introduction, magnetic susceptibility and itsmeasurements, spin cross over systems, ferromagnetism and antiferro magnetism.

Unit-III Reaction kinetics of coordination compounds: Introduction, electron transfer reactions: Outer-spherereactions, the Marcus theory, ligand-bridged inner sphere reactions doubly-bridged inner-spheretransfer, one electron and two electrons transfers, non-complementary reactions. Ligand exchange via electron exchange. Mechanisms of ligand substitution reactions-general considerations, substitutionreactions of square planar and octahedral complexes. Base-catalyzed hydrolysis of cobalt(III) ammine complexes.

Unit-IV Metal-metal bonding : Evidences and factors favouring of M-M bonding, bi, tri, tetra, penta and hexa nuclear metal clusters. Thermodynamic and related aspects of ligand fields: Hydration, ligation and lattice energies. REFERENCES: 1. Advanced inorganic chemistry, (5th edition) – F.A. Cotton and G. Wilkinson: JohnWiley and sons 1988. 2. Inorganic chemistry (3rd edition) – J.E. Huheey: Harper and Row, N.Y. 1983. 3. Modern aspects of Inorganic chemistry (4th edition) – H.J., Emeleus and A.G.Sharpe: UBS 1989.23 4. Coordination chemistry – S.F.A. Kettle, (1969) – Thomas Nelson and Sons Ltd.,London. 5. Physical Inorganic Chemistry- A Coordination Chemistry Approach –S.F.A.Kettle, Spektrum, Oxford, 1996.


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CHE-PhD-1 IN 5 ORGANOMETALLIC CHEMISTRY

Unit-I Organometallic Chemistry: Introduction, 16 and 18 electrons rule, classification of organometalliccompounds by bond type, nomenclature. Chemistry of organometallic compounds : Synthesis and reactions of organomagnesium (Grignardreagent), organomanganese, organoaluminium, organotin, organozinc, organolithium (n-BuLI, PhLi)reagents.

Unit-II Metal Carbonyl Complexes: Preparation, structure, chemical bonding in metal carbonyls, physicalevidence related to M-CO bonding. Preparation of anionic metal carbonyl complexes and substitutedmetal carbonyl complexes. Cyclopentadienyl Metal Complexes: Preparation and structures of cyclopentadienyl metal complexes. M.O diagram for ferrocene.Reactions and aromaticity of ferrocene.

Unit – III Metal-arene Complexes: Methods of preparation of arene complexes, reactions of metal-arene complexes, structure and bonding in arene-metal complexes. Heterocyclic sandwich compounds: Preparation and properties. Olefin-transition metal complexes: Methods of preparation, structure and bonding in metal olefincomplexes. Conjugated diolefins and related metal complexes: Preparation, structure and bonding. Acetylene and acetylene derived metal complexes: Preparation, structure and bonding in acetylenecomplexes. Reactions of coordinated acetylene. Pi-allylic metal complexes: Preparation of complexes containing allylic ligands, structure and bonding.

Unit-IV Homogeneous Catalysis: Introduction, properties of catalysis, types of reactions in homogeneouscatalysis, hydrogenation of olefins, isomerization of olefins, oxo-process, Wacker process, Monsantoacetic acid process. Monsanto L-Dopa synthesis, water gas shift reaction, carbonylation, templatesynthesis, alkene hydrosilation. Herterogeneous Catalysis : Introduction, Fischer-Tropsch reaction, Ziegler-Natta catalysis. Biological applications and environmental aspects o f organometallic compounds: Introduction,organometallics in medicine, agriculture, horticulture and environmental aspects. Reference: 1. Inorganic Chemistry - F.A. Cotton and G. Wilkinson (2nd edn). 2. Inorganic Chemistry Principles and Structure –J. Huheey. 3. Organometallic Chemistry – R.C. Mehrothra and A. Singh. 4. Fundamental Transition metal Organometallic Chemistry – Charles M. Lukehart. 5. Inorganic chemistry- Purcell and Kotz. 6. J. March, Advanced Organic Chemistry, Willey Interscience, 1994. 7. Comrehensive Organic Synthesis, – Trost series, Pergamon Press, New York, Vol. 1, 1991. 8. R. Norman and J. M. Coxon, Principles of organic synthesis, 2nd edition, Replika Press Pvt. Ltd., India, 2005


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CHE-PhD-1 IN 6 BIOINORGANIC CHEMISTRY

Unit-I

Biochemistry of Sodium, Potassium and Chlorine: Sources, absorption, distribution and functions.The transport mechanism, Na+, K+ transporting ATPase (The Na+/K+ pump).Macrocyclic crown ethercompounds, cryptands, spherands and ionophores. Biochemistry of Calcium: Binding, transport and accumulation of Ca2+, calcium and muscle contraction, calcium in blood cloting mechanisms.

Unit-II Biochemistry of Cobalt: Vitamin B12 and B12 coenzymes, Coenzyme A, Coenzyme, NAD, FMN andFAD. Bioenergetics: Energy in biology, energy transfer, the energy of ATP, Kinetic stability of ATP, standard free energy change entropy. High energy compounds, mitochondrial flow of electrons fromNADH to O2. Bioinorganic Chemistry of Phosphorus: Phosphates and bioenergetics, oxidative phosphorylationsubstratate level phosphorylation, respiratory chair phosphorylation, mechanism of oxidative phosphorylation. Transport and Storage of Iron: Ferretin, transferrin, phosvitin and gastroferrin. Iron Transport in Microbes: Siderophores, in vivo microbial transport of iron.Bioinorganic chemistry and protection of the environment .

Unit –III Role of metal ions on the catalytic mechanism of en zyme: Ligand bridge complex, metal bridge complex and enzyme bridge complex. Dioxygen metal complexes in biological system: Reactions of molecular oxygen, activation of dioxygen molecule in transition metal dioxygen complexes. Oxygen Carrying Proteins: Introduction to porphyrin system, substituent effects on porphyrin rings, hemoglobin and myoglobin, model compounds for oxygen carriers (cobalt, iridium, iron and nickel). Hemerythrin and hemocyanin. Electron Transport Proteins: Iron-sulphur proteins (rubredoxins and ferredoxins) and cytochromes including cytochrome P450. Iron and Copper Containing redox enzymes: Catalase and peroxidase. Superoxide dismutase. Zinc containing enzymes: Alcohol dehydrogenase, carboxypeptidase A. Molybdenum containing enzymes: Aspects of molybdenum chemistry, xanthine oxidase, aldehyde oxidase, sulphite oxidase, nitrogenase and nitrate reductase.

Unit –IV Therapeutic uses of metals and some ligands. Metal complexes as drugs and therapeutic agents: Introduction, antibacterial agents, antiviral agents, antiarthritis agents and anticancer agents. Treatment of toxicity due to inorganics: Mechanism of (i) Antidote complexes with poison, rendering it inert (Heavy metals, iron, copper and thallium). (ii) Antidote accelerated metabolic conversion of poison to non-toxic product (cyanide). (iii) Antidote cometes with poison for essential receptors (carbon monoxide, morphine and morphine like narcotics) Reference: 1. Biochemistry – A.L. Lehninger 2. Biochemistry – L. Stryer 3. Bioinorganic Chemistry - R.W. Hay 4. The Inorganic Chemistry of Biological Processes – 2nd edition, M.N. Hughes 5. Bioinorganic Chemistry –M. Satake and Y. Mido. 6. Bioinorganic Chemistry – G.R. Chatwal and AjaykumarBhagi. 7. Biological aspects of Inorganic Chemistry – A.W. Addison, W.R. Cullen, D. Dolphin and B.R. James. 8. Principles of drug action: The basis of pharmacology, 2nd edition – A. Goldstein, L. Aronow and S. M. Kalman. 9. Advanced Inorganic Chemistry-II – Gurdeep Raj. 10. Bioinorganic Chemistry.


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CHE-PhD-1 IN 7 BASIC AND ADVANCED INORGANIC CHEMISTRY

Unit-1

Quantum Mechanics and its applications: MO-VB Theory: Born-Oppenheimerapproximation, Hydrogen Molecule ion. LCAO-Mo and VB treatments ofhydrogen molecule. Electron Density, forces and their role in chemical bonding.Hybridization and valence MO’s of H2O, NH3 and CH4 .Huckel pi-electro theory and its applications to Ethylene, Butadiene and Benzene. Idea of Self-consistentfield method.

Unit-II Magneto chemistry : Definition of Magnetic Properties, Types of magneticbodies,Diamagnetism and Pascal’s Constant, Russell-Saunders or LS Coupling,Multiple width Large compared to kT, Multiple width small compared to kT,Stereo chemical applications of Magnetic Properties of the First Transition Series,Lanthanides and actinides, Determination of magnetic susceptibility by Gouy’s Method, Derivation of Van Vleck formula for Susceptibility.

Unit III

Mössbauer spectroscopy: Introduction of Mössbauer effect, Isomer-Shift, Magnetic hyperfine interactions.Quadrupole moment.Electric fieldgradient.Quadrupole splitting.Applications in structure determination.

Unit-IV Uses of Inorganic reagents in inorganic analysis : General discussion and usesof some inorganic reagents: Potassium bromate (KBrO3), potassium iodate(KIO3), ammonium vanadate (NH4VO3), ceric suphate [Ce(SO4)2], ethylenediamine tetra acetic acid (EDTA) Uses of Organic reagents in inorganic analysis: Cupferron, DMG, dithiozone,aluminon, oxine, dithiooxamide, α-benzoinoxime, α-nitro-β-naphthol, α-nitroso-β-naphthol, diphenylcarbazone, diphenylcarbazide, anthranilic acid, tannin, pyragallol, benzidine, salicylaldoxime, o-phenanthroline. Reference Books: 1. Physical Method in Chemistry, R.S.Drago, Saunders College Publishing. 2. Quantum Chemistry, R.K.Prasad, New Age. 3. Introductory Quantum Chemistry, A.K. Chandra, Tata MacGraw -Hill. 4. Quantum Mechanics, Chatwal&Anand, Himalya Publishing House. 5. Introduction ToMagnetochemistry, Alan Earnshaw, Academic Press. 6. Elements of Magnetochemistry, Dutta&Syamal, S. Chand & Company. 7. Textbook of Inorganic Chemistry Vol .I &II, A.Singh&R.Singh, Campus International Publication 8. Advanced Inorganic Chemistry, Cotton Wilkinson, W S E Wiley 9. Vogel’s Text book of Quantitative Inorganic Analysis, ELBS


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CHE-PhD-1 IN 8 SELECTED TOPICS IN INORGANIC CHEMISTRY

Unit:I

Catalysis: a) Basic principles, thermodynamics and kinetic aspects, industrial requirements, classification, theories of catalysis, homogeneous & heterogeneous catalysis, reaction catalyzed by transition metal complexes and Organometallic compounds, Mechanism of reaction viz. Hydrolysis, polymerization, esterification, hydrogenation, ammonia synthesis, sulpur dioxide Oxidation. b) Zeolites, synthesis of different zeolites, characterization, determination of surface acidity, shape, selectivity and application.

Unit-II Inorganic Polymers: Classification, types of Inorganic polymers, Chemistry of following polymers a) Silicones b) phosphonitric halides c) condensed phosphates d) coordinated polymers e)silicates f) Isopoly & heteropoly acids

Unit-III Non conventional sources of energy: a) Alternate source of energy Solar sources: Photochemical methods, thermodynamic efficiency of energy conversion, energy from solar radiations, transition metal complexes for energy production, solar hydrogen system, photochemical processes at semiconductors electrodes, photo galvanic & Photovoltaic cells based on Inorganic photochemical systems. b) Geothermal energy c) Energy from biogas sources d) Tidal wind sources e) Energy from fission and fusion reaction.

Unit-IV Fertilizers: Classification of fertilizers, nitrogen fertilizers, phosphate fertilizers, NPK fertilizers, H3PO3 production without using H2SO4, position of fertilizer Industries in India. Reference: 1. Heterogeneous catalysis 2nd edn., Bond C. Chapman all (1987) 2. The application & Chemistry of catalysis by suitable transition metal complexes Parashall. W. Weily N. 1980. 3. Homogeneous transition metal catalysis, A general art, Masters C. Chapmann and Hall, London 1981. 4. Introduction to the principles of heterogeneous catalysis, Thomas J.M., Thomas W.J. Academic press N.Y. 1967 5. Inorganic polymers: Mark J.F., Allock H.R. West, Prentice hall 6. Inorganic polymers: Ring N.H., Academic Press N.Y. 1978 7. The Inorganic heterocyclic chemistry of sulphur, nitrogen, phosphorous, Heal A.G. Aca, Press N.Y. 1980. 8. Solar energy Principles of thermal collections and storage, Sukhatme S.P., Tata Macgrow Hill New Delhi 1984. 9. Fuel Cells, Bockeris JOM, Sriniwasan S. and Mac grow Hills 1969 10. Solar Energy Rai C.D. 11. Energy Resources, Simon A.L. 1975 12. Direct Energy Conversion, Addison Wesley, 1970, All M and Kottani.


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CHE-PhD-1 IN 9 CHEMISTRY OF INORGANIC MATERIALS

Unit-I

Lattice Defects : Introduction to types of Solids, Perfect & imperfect crystals, point defects, Line defectand plane defect defect (definition & explanation of meaning) order & disorderphenomena, thermodynamics of Schottky&frenkel defect formation, Determination ofdefect, Nonstiochiometric defect (structural and thermodynamic aspects) incorporation of stiochometric excess of defects, thermodynamics of Nonstiochiometric phases. Synthesis of Inorganic materials Synthesis of solid state materials using different techniques ceramic techniques, co precipitation techniques, sol gel techniques, precursor techniques, high temperature & high pressure synthesis.

Unit-II Ionic Conductors: Types of ionic conductors, mechanism of ionic conduction, interstitial jumps, vacancymechanism, diffusion, super ionic conductors, phase transition & mechanism ofconduction in super ionic conductors, examples and applications of ionic conductors.B] Electronic properties of materials a) Organic semiconductors, examples, properties and application b) Superconductivity, superconductivity in metals, alloys and ceramics materials (mixed oxides) BCS theory, Meissner effect, type I & II superconductors, application Fullerenes as superconductors. c) Dielectric polarization: piezoelectricity and Ferro electricity. d) Lasers and Masers actions, laser production and application.

Unit-III

Magnetic properties of Materials: Introduction, Magnetization, Electron spin and magnetic moment, Theory ofdiamagnetism, langevins theory & paramagnetic susceptibility of solids, ferromagnetism,Domain theory. Hysteresis in magnetism, ferrimagnetisms (ferries) Applications ofmagnetic materials. Magnetic Materials: I] Structure and Properties of i) Metal and Alloys ii) Transition metal Oxides iii) Spinels iv) Ilmenites v) Perovskite and vi) Magneto-plumbites. II] Hard and Soft magneticmaterials, hysteresis loop and their application in transformer cores, magnetic bubblememory devices for information storage and permanent magnets III] Spin glasses:Formation and characteristics.

Unit-IV

Advanced Inorganic Materials: Nanotechnology and its business applications, Introduction to nanoscale, Potential applications of nanomaterials, Challenges and opportunities scope of nanotechnology, Commercialization scope Nanotechnology research in 21st century, Basic nanotechnology science and chemistry concepts, basic nanostructures , nanocomposites, Thin films, nanofoam, nanoclusters, smart nanostructures, manufacturing techniques of nanomaterials. Glass, ceramics, Refractory materials: Glassy states, Glass formers and glass modifiers, applications, ceramic structures, mechanical properties, clay products, refractory characterization, properties. Reference: 1. Solid State Chemistry: A.H. Hanny


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2. C.N.R. Rao, Solid State Chemistry : Dekker 3. Wilcox : Preparation and Properties of Solid State Materials: Vol I & II, Dekker 4. Hagenmuller, Preparative Methods in Solis State Chemistry 5. LohnWulff, The Structure and Properties of Materials Vol. IV, Electronic Properties (Wily Eastern) 6. N.N. Greenwood: Ionic Crystals, Lattice Defects and Nonstiochiometry (Butterworth's) 7. L.V. Azoroof and J.J. Brophy: Electronic Processes in Materials, MacGraw Hills. 8. T.J. Rey et al : The Defect Solid State ( Interscience) 9. E.A. Kroger, Chemistry of Imprefect Crystals (Holland) 10. A.R. West, Solid State Chemistry 11. H.V.K Keer, Principles of the Solid State Chemistry, Wiley Eastern. 12. S.O. Pillai Academic press: Solid state physics.


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CHE-PhD-1 IN 10 INORGANIC CLUSTERS AND SUPRAMOLECULAR CHEMISTRY

Unit-I

Introduction to molecular clusters:Main-group clusters: Geometric and electronic structure, three-, four- and higher connect clusters, the closo-, nido-, arachno-borane structural paradigm, Wade-Mingos and Jemmis electron counting rules, clusters with nuclearity 4-12 and beyond 12. Structure, synthesis and reactivity. Transition-metal clusters: Low nuclearity metal-carbonyl clusters and 14n+2 rule, high nuclearity metal-carbonyl clusters with internal atoms. Structure, synthesis and reactivity.Capping rules, isolobal relationships between main-group and transition metal fragments, metal-ligand complexes vsheteronuclear cluster.

Unit-II

Main-group-Transition-metal clusters: Isolobal analogs of p-block and d-block clusters, limitations and exceptions.Clusters having interstitial main group elements, cubane clusters and naked or Zintl clusters. Molecular clusters in catalysis, clusters to materials, boron-carbides and metal-borides.Illustrative examples from recent literature.

Unit-III

SupramolecularChemistry : Definition of supramolecular chemistry. Nature of binding interactions in supramolecular structures: ion-ion, ion-dipole, dipole-dipole, H-bonding, cation-p, anion-p, p-p, and van der Waals interactions.Synthesis and structure of crown ethers, lariat ethers, podands, cryptands, spherands, calixarenes, cyclodextrins, cyclophanes, cryptophanes, carcerands and hemicarcerands., Host-Guest interactions, pre-organization and complimentarity, lock and key analogy. Binding of cationic, anionic, ion pair and neutral guest molecules.

Unit-IV

Crystal engineering: role of H-bonding and other weak interactions.Self-assembly molecules: design, synthesis and properties of the molecules, self assembling by H-bonding, metal-ligand interactions and other weak interactions, metallomacrocycles, catenanes, rotaxanes, helicates and knots.Molecular devices: molecular electronic devices, molecular wires, molecular rectifiers, molecular switches, molecular logic.Relevance of supramolecular chemistry to mimic biological systems: cyclodextrins as enzyme mimics, ion channel mimics, supramolecular catalysis etc.

Reference:

1. 1. D. M. P. Mingos and D. J. Wales; Introduction to Cluster Chemistry, Prentice Hall, 1990. 2. N. N. Greenwood and E. A. Earnshaw; Chemistry of elements, Second Edition, Butterworth- Heinemann,

1997. 3. T. P. Fehlner, J. F. Halet and J-Y. Saillard; Molecular Clusters: A Bridge to solid-state Chemistry,

Cambridge University press, 2007. 4. B. D. Gupta and A. J. Elias; Basic Organometallic Chemistry: Concepts, Synthesis, and Applications,

Universities Press (India), 2010. 5. D. M. P. Mingos, Essential Trends in Inorganic Chemistry, Oxford, University Press, 1998. 6. C. E. Housecroft, Metal-Metal Bonded Carbonyl Dimers and Clusters, Oxford Chemistry Primers (44),

Oxford, University Press, 1996. 7. J.-M. Lehn; Supramolecular Chemistry-Concepts and Perspectives (Wiley-VCH, 1995) 8. P. D. Beer, P. A. Gale, D. K. Smith; Supramolecular Chemistry (Oxford University Press, 1999) 9. J. W. Steed and J. L. Atwood; Supramolecular Chemistry (Wiley, 2000)


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CHE-PhD-1 IN 11 PHYSICAL METHODS IN INORGANIC CHEMISTRY

Unit-I

Nuclear Magnetic Resonance Spectroscopy (NMR) Principal of NMR spectroscopy.Chemicalshift,mechanism of electron shilding andfactors affecting the magnitude of chemical shift.Volume diamagnetic susceptibility,Chemical shifts for which the local diamagnetic term does not predominate,spin-spinspilitting, spin-spin coupling mechanism for transmitting nuclear spins,applications ofspin-spin coupling to structure determination,applications involving magnitude ofcoupling constants,complexspectra,chemical exchange and the factors affecting linewidth,effect of chemical exchange on spectra and the evaluation of reaction rates forfast ractions,study od exchange reactions between ligands and metal ions.the doubleresonance technique,NMR of paramagnetic complexes –contact shift.applcations ofNMR to Inorganic problems. .Nuclear Quadruple Resonance Spectroscopy(NQR) Introduction,effect of magnetic field on the spectra,relationship between the electricfield gradient q.and molecular structure,applications involving –the interpretation ofeQqdata,the effects of crystal lattice on the magnitude of eQq,Structural informationfrom NQR spectra.

Unit-II

Electron Spin Resonance Spectroscopy (EPR/ESR) Introduction,Presentation of the spectrum,hyperfine splitting in some simple systems,hyperfine splitting in various structures,factors affecting the magnitude of the gvalues,intractions affecting the energies of unpaired electrons in transition metalcomplexes ,zero-field splitting and Kramer’s degeneracy,anisotropy in hyperfinecoupling constant,the nuclear quadruple intraction,the spin Hamiltonian,line widths insolid state ESR,electrondelocalization,at least five different applications. Mossbaur Spectroscopy Principle,Doppler broadening,resonance line shift from change in electronenvironment,quadruple and magnetic interactions, applications.

Unit-III 5.Mass Spectrometry Principle,presentation of spectra,processoccuring due to combination of a moleculeand a high energy electron,applications-fingerprint application and the interpretationof mass spectra,effect of isotops on the appearance of a mass spectrum,molecularweight determinations exact masses of nuclides, molecular ions, isotope ions,fragment ions of odd and even electron types, rearrangement ions.Factors affectingcleavage, cleavage patterns,simple cleavage, cleavages at a heteroatom, multicentrefragmentation rearrangements, Diels – Alder fragmentation..

Unit-IV Thermal Methods: A.Thermogravimetry(TGA): Defination,types of TGA, Instrumentation,information from TGA curve, factors affecting TGA curves (instrumental as well ascharacteristics of sample factors);applications TGA,calculation of percentdecomposition and percent composition of compounds,limitations and adventages ofTGA. DervativeThermogravimetry(DTG) and its advantages .


19

Differential Thermal Analysis (DTA): Definition, therotical basis of DTA,instrumentation of DTA apparatus, factors affecting DTA curves, applications ofDTA, adventages and disadventages of DTA,applications of DTADifferentialSanningCalorimetry(DSC) : Defination,comparison of DTA andDSC technique,instrumentation of DSC,factors affecting DSC curves,applications of DSC. Reference: 1. Physical methods in Inorganic Chemistry, R.S.Drago, RenholdPuublishing CorporationR.S.Drago 2. Instrumental Methods of Analysis,6thedition,Willard,Merit,Dean. 3. Instrumental Methods of Chemical Analysis,5thedition,GoldenW.Ewing 4. Principals of Instrumental Analysis,3rdedition,DouglasA.Skoog 5. Instrumental Methods of Chemical Analysis,Anand,hatwal 6. Quantative Inorganic Analysis,A.I.Vogel


20

CHE-PhD-1 IN 12 GROUP THEORY AND APPLIED INORGANIC CHEMISTRY

Unit-I

Group Theory : Products of symmetry operations, Group multiplication table : C2V, C2h, C3V,C4V, D2h point groups. Matrics notations for geometric transformations,properties of a group, law of reciprocal proportion, classes for C2V, C2h, C3V,C4V and D2h point groups Reducible and irreducible representations, The Great orthogonalitytheorm andits rules, construction of character table; Mulikan’s symbolism for irreduciblerepresentations, Molecular term symbols, character tables for C2V, C2h, C3V,C4V, D2h,D3h and D2d point groups.

Unit-II Representation of Gropus: Reduction of reducible representation into its irreducible representation on thebasis of character table, Sigma bond scheme : Hybrid orbitals with 6 bondingfor tetrahydral (Td), D3h,D4h,C4V point groups. Hybrid orbitals with Pi ( Π )boinding for D3h,D4h point groups, constructing symmetry adapted for linearcombination (SALC) for C2V and C3V point groups. Molecular orbital approachto analyse bonding in H2O, NH3 and BF3 molecules, transformation propertiesof atomic orbitals.

Unit-III Basic & applied Chemistry : The chloroalkaliindustry : Introduction, LeBlanc process, Weldon and decon processes, electrolyticprocess, diaphragm cell, Mecury cathode cell, solvay (ammonia soda) processNoble gases :Introduction, electronic structure, clatherate compounds, structure and bondingin XeF2, XeF4 and XeF6 compounds

Unit-III Nano Particles :General Introduction and objectives study, synthesis of nano material byphysical, Chemical and Biological methods, Chemical Methods : Coprecipitation method – Theory and Thermodynamic ofco-precipitation, Synthesis of metal from aqueous solution, Precipitation ofmetal by reduction from non aqueous solution, precipitation of metal byelectrochemical method, precipitation of metal by radiation assisted reductionmethod, precipitation of metal by decomposition of metalloorganic precursor

Unit-IV Metal – ligand equillibria in solution : Stepwise and overall formation constants and their interaction, trends instepwise constants, Factors affecting the stability of metal complexes withreference to nature of metal ion and ligand,chelate effect and its thermodynamicorigin, determination of formation constants by PH- Metry, spectrophotometricmethod Reference :

1. Chemical applications of Group theory by F-Albert cotton second edition, wiley Eastern limited New Delhi.

2. Group theory and its chemical applications by P.K. Bhattacharya Himalaya publishing House.


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3. Concept and application of Group theory by KishorArroraAnmol publications Pvt.Ltd., New Delhi

4. Nanotechnology : Principles and particles – Sulabha K. Kulkarni (Capital Publication Co.) 5. Recent Advances in the liquid phase synthesis of Inorganic Nano particles B.L. Cushing, V.L.

Kolesnichenko and C.J.O” connor chemical Review 104, 3893- 3946 (2004) 6. Nano – The text revolution – Mohan sundaraRajan (National book trust India) 7. Concise Inorganic Chemistry fifth edition, J.D.Lee 8. Inorganic Chemistry by A.G. Sharpe third edition. 9. Advanced Inorganic Chemistry Fifth edition by F.A. Cotton and Wilkinson. 10. Inorganic Chemistry by J.E. Huhey 11. Electrons & Chemicals bonding by H.B. Gray.


22

CHE-PhD-2 OR 1 Organic Chemistry –Stereochemistry and Reaction mec hanism

Unit I

Stereoisomerism : Projection formulae [fly, wedge, Fischer, Newman and saw horse].

Optical isomerism : Conditions for optical isomerism, optical isomerism due to chiral centers and molecular dissymmetry, allenes and biphenyls, criteria for optical purity. enantiomorphs, diastereoisomers, racemic mixtures and their resolution, configurational notations of simple molecules, DL and RS configurational notations.

Unit-II

Geometrical isomerism : Isomorphism due to C=C, C=N and N=N bonds, E,Z conventions, determination of configuration by physical and chemical methods.

Conformational analysis : Elementary account of conformational equilibria of ethane, butane and cyclohexane, Conformation of cyclic compounds such as cyclopentane, cyclohexane, cyclohexanone derivatives and decalins. Conformational analysis of 1,2-; 1,3-; 1,4- disubstituted cyclohexane derivatives, D-glucose. Effect of conformation on the course of rate of reactions.

Stereoselectivity : Stereoselective reactions, diastereoselective reactions, stereospecific reactions, regioselective&regiospecific reactions.

Unit III

Structure and reactivity of organic compounds: Acids and Bases, functional group effects on acidity and basicity, hydrogen bonding, resonance, inductive and hyperconjugation effects.

Meaning and importance of reaction mechanism, Classification of reactions

Determination of reaction mechanism by kinetic and non-kinetic methods: Kinetic methods: Mechanistic implications from rate laws, the transition state theory, ambiguities in interpreting kinetic data, solvent effect, ionic effect, isotopic effect, solvent isotopic effect, substituent effect, steric effect, linear free energy relationships–Hammett equation and Taft treatment.

UNIT-IV

Non-kinetic methods : Energy profile diagram, identification of products, testing possible intermediates, trapping of intermediates, cross over experiments, isotopic labeling, stereochemical studies, limitations of reactions.

References :


23

1. I. L. Finar, Organic Chemistry, ELBS Longmann, Vol. I & II, 1984. 2. E. L. Elliel and S. H. Wilen, Stereochemistry of Organic Compounds, John Wiley and Sons,

New York. 1994. 3. Introduction to stereochemistry – K. Mislow. 4. R. K. Bansal, Organic Reaction Mechanism, Wiley Eastern Limited, New Delhi, 1993. 5. J. March, Advanced Organic Chemistry, Wiley Interscience, 1994. 6. E. S. Gould, Mechanism and Structure in Organic Chemistry, Halt, Rinhart& Winston, New

York, 964. 7. A Guide book to mechanism in Organic Chemistry – Petersykes 8. Stereochemistry and mechanism through solved problems – P. S. Kalsi. 9. F. A. Carey and Sundberg, Advanced Organic Chemistry – Part A & B, 3rd edition, Plenum

Press, New York, 1990. 10. D. Nasipuri, Stereochemistry of Organic Compounds, 2nd edition, Wiley Eastern Limited,

New Delhi, 1991. 11. S. K. Ghosh, Advanced General Organic Chemistry, Book and Alleied (P) Ltd, 1998.


24

CHE-PhD-2 OR 2 Organic reactions and mechanism

Unit I

Substitution reactions – Kinetics, mechanism and stereochemical factor affecting the rate of SN1, SN2, SRNi, SNi, SN1’, SN2’, SN1i, reactions, Neighbouring group participation.

Electrophilic substitution reactions – Kinetics, mechanism and stereo chemical factor affecting the rate of SE1 & SE2

Unit-II

Aromatic electrophilic substitution reactions: Mechanism of nitration, halogenation, sulphonation, Friedel-Crafts alkylation and acylation, Mannich reaction, chloromethylation, VilsmeierHaack reaction, Diazonium coupling, Gattermann–Koch reaction, Mercuration reaction.

Aromatic nucleophilic substitution reactions: SN1, SN2 and benzyne mechanism, Bucherer reaction, von Richter reaction.

Unit II

Addition reactions: Addition to C-C multiple bonds involving electrophiles, nucleophiles and free radicals. Markownikoff’s rule and antiMarkownikoff’s rule, Hydroboration.

Typical additions to carbonyl compounds: Addition of hydride, water, alcohol, thioalcohol, bisulphite, HCN, Grignard reagents and amino compounds to carbonyl compounds.

Aldol and related reactions: Keto-enoltautomerism, mechanism and synthetic applications of aldol condensations, Claisen reaction, Schmidt reaction, Perkin reaction, Knoevenogel, benzoin, Stobbe and Darzen’sglysidic ester condensation, Cannizaro reaction, Tishchenko reaction, Michael addition, Robinson’s annulation reactions.

Unit-IV

Mechanism of ester formation and their hydrolysis, formation and hydrolysis of amides, decarboxylation mechanisms.

Elimination reactions: Mechanism and stereochemistry of eliminations–E1, E2, E1cb mechanism, cis-elimination, Hofmann and Saytzeff eliminations, competition between elimination and substitution, Chugaev reaction.

References:

1. I. L. Finar, Organic Chemistry, ELBS Longmann, Vol. I & II, 1984 2. J. March, Advanced Organic Chemistry, Wiley Interscience, 1994.


25

3. E. S. Gould, Mechanism and Structure in Organic Chemistry, Halt, Rinhart& Winston, New York, 1964.

4. F. A. Carey and Sundberg, Advanced Organic Chemistry – Part A & B, 3rd edition, Plenum Press, New York, 1990.

5. Comprehensive Organic Synthesis – B. M. Trost and I. Fleming series, Pergamon Press, New York, 1991.

6. A Guide book to mechanism in organic chemistry – Petersykes. 7. S. K. Ghosh, Advanced General Organic Chemistry, Book and Alleied (P) Ltd, 1998 8. R. K. Bansal, Organic Reaction Mechanism, Wiley Eastern Limited, New Delhi, 1993


26

CHE-PhD-2 OR 3 Carbohydrates and peptides

Unit I

Monosaccharides: Introduction, general reactions, ring size determination of monosaccharides, configuration and conformations of monosacharides, anomeric effect, Hudson’s rules, epimerization and mutarotation. Synthesis and biological importance of glycosides, amino sugars, anhydrosugars.

Unit-II

Dissaccharides: Structure, synthesis and biological aspects of sucrose, maltose and lactose. Industrial applications of sucrose.

Polysaccharides: General methods of structure elucidation.

Unit III

Amino acids: General structure, essential amino acids physiological properties, isoelectric points, buffers {phosphate and acetate buffers) and two methods of synthesis (Gabriel phthalimide synthesis and Strecker synthesis).

Unit-IV

Peptides: Peptide bond, structure determination: Amino acid residue analysis, C and N-terminal determination, selective cleavage of peptide bonds (two chemical and biochemical methods); Peptide synthesis: - Protection of amino group (Boc, Cbz, Fmoc-), carboxyl group as alkyl and aryl esters and activation of carboxylic groups, solution and solid phase techniques, use of DCC and Merrifield’s resin, Racemization during peptide synthesis, synthesis of oxytocin, insulin, vasopressin and gramicidin, brief account of MSH, ACTH and HOBT.

References:

1. I. L. Finar, Organic Chemistry, ELBS Longmann, Vol. I & II, 1984. 2. K. Albert, L. Lehninger, D. L. Nelson, M. M. Cox, Principles of Biochemistry, CBZ publishers,

1st edition, New Delhi, 1993. 3. Harper’s Biochemistry, Ed. R.Harper, 22nd edition, Prentice Hall Press, New York, 1990. 4. Encyclopedia of Chemical technology – Kirck-Othmer series 5. Harper’s review of biochemistry – P. W. Martin, P. A. Mayer & V. W. Rodfwell, 5th edition,

Maurzen Asian Edition, California, 1981.


27

CHE-PhD-2 OR 4 Advanced Organic Chemistry

Unit-I

Reaction Mechanism:AliphaticElectrophillic Substitutions : Bimolecular pathways. SE2, SE1 and SEi mechanisms.Reactions involving double bond shifts. Aromatic ElectrophillicSubstitutions : Mechanisms of aromatic, Nitration, Sulphonation, Halogenation, isotope effects, energy profile diagrams. Kinetic and thermodynamic control., Hammond's Postulate, o/p ratio. ipso substitution, VilsmeirHaack, Pechmann, Fries rearrangement.

Unit-II

Aromatic NucleophilicSubstitutions :SNAr, SN1 and aryne pathways. Meisenheimer complexes, Vicariousnucleophilic displacement, Von-Richter and Smiles rearrangement.

Advanced Stereochemistry:Prochirality: Homotopic, Enantiotopic and Diastereotopic atoms, groups and faces. StereochemicalDescriptors : Application to reduction of carbonyl compounds, cyanohydrins formation, addition of water to alkenes.

Unit-III

Optical activity due to molecular dissymmetry :Allenes, Spiranes, Biphenyls, Atropisomerism, Molecular Crowding. Conformational analysis of cyclohexane, mono substituted and disubstituted (1,2, 1,3, 1,4) cyclohexanes. Cis and Trans Decalins.Chirality of cyclohexanes.

Unit-IV

Carbohydrates:Conformational representation of monosaccharides. Mechanism of Mutarotation- Base catalysedIsomerisation of Aldoses and ketoses. Epimerisation, Anomericeffect.Glycosides, Ether and Ester derivatives of carbohydrates.Acetone, amino and Deoxysugars.Oxidation and reduction reactions of carbohydrates. Disaccharides: Lactose, Maltose and Sucrose. Polysaccharides: Structure and degradation of starch, cellulose and glycogen.

Reference:

1. Advanced Organic Chemistry part A and B –F.A. Carey and R.J. Sundberg, 4th Edition, Plenum Publishers (2000). 2. Advanced Organic Chemistry, Reactions, Mechanism and Structure –J March, 3rd Edition, Wiley Eastern Ltd. (2004). 3. Guide Book to Mechanism in Organic chemistry –Peter Sykes Oriant- Longman (1985). 4. Stereochemistry of Carbon Compounds –Eliel, Tata McGraw Hill, New Delhi (1976). 5. Stereochemistry of Organic Compounds, Principles and Applications – D. Nasipuri, Wiley Eastern Ltd.(1992). 6. Organic Chemistry Vol-I, II, III –S.M.Mukherji, S.P.Singh and R.P.Kapoor, New Age International Ltd, New Delhi (2000). 7. Organic Chemistry Volume-I, II - I. L. Finar, 6th Edition, ELBS London (2004). 8. Chemistry of Carbohydrates –G.C.Percival. 9. Carbohydrates – Chemistry and Biochemistry –Pigman and Harton. 10.Heterocyclic Chemistry –T.L.Gilchrist, 3rd Edition, Pearson Education Delhi, (2005).


28

CHE-PhD-2 OR 5

Organic Spectroscopy

Unit – I

Electronic, Chiroptical and Vibrational Spectroscopy: Electronic and ChiropticalSpectroscopy :Introduction. Energy considerations.Experimental methods.Beer-Lambert’s law.Theory and classification of electronic transitions.Terminology, substituent and solvent effects.UV spectral study of alkenes, dienes, polyenes, carbonyl and aromatic compounds. Steric effects, isobestic points, model compounds, charge transfer bands. ORD – Cotton effect, Octant and Haloketone rules, Applications in the determination of configuration of cyclic and steroidal ketones.

Unit-II

Vibrational Spectroscopy:Introduction and Experimental methods. Units, Notation and Regions.Dispersive and FT-IR.Sampling techniques.Complimentarity of IR and Raman.Fundamental vibrations, overtones, Group frequencies, factors affecting group frequencies; Conjugation, inductive, resonance, steric effects.Mechanical coupling, Fermi resonance, Applications of IR in the study of H-bonding, stereoisomerism, tautomerism. Identification of the following organic compounds by IR : Alkanes, Alkenes, Alkynes, Aromatic compounds, Aldehydes, Ketones, Alcohols, Thiols, Acids, Acid chlorides, Amides, Amines, Esters, halides, nitro compounds, etc

Unit – III

Proton Magnetic Resonance Spectroscopy: Introduction- Magnetic properties of nuclei- Resonance condition. Field Frequency diagram.Precession of Nuclei, Relaxation- CW and PFT-methods-Instrumentation and Sample handling.Chemical shift- Mechanism of shielding and deshielding- in Alkanes, Alkyl halides, Alkenes, Aromatic compounds, Carbonyl compounds and Annulenes. Chemical shifts of Different types of Organic compounds. Empirical rules.Spin-spin coupling, geminal-vicinal coupling-Relative intensities.Karplus equation-Curve.Equivalence of protons- chemical and magnetic equivalence. Spin-systems First order and second order patterns. Long Range coupling – Spin decoupling, CIDNP, NOE.Lanthanide Shift reagents. Proton attached to elements other than carbon. Exchange phenomena, Temperature effects.

Unit-IV

Multi-Nuclear NMR and Correlation Spectroscopy: 13C-NMR. Broad Band and Off resonance decoupling methods of detection. 13C- Chemical shifts of different classes of Organic compounds- Alkanes, Alkyl halides, Alkenes, Alcohols, Ethers, Carbonyl compounds and Aromatic compounds. 13C – H Coupling DEPT. Introductory aspects of 15N, 19F, 31P - NMR. Correlation NMR


29

Spectroscopy: Theory, Pulse sequences. FT-Methods. 1H - 1H (COSY) and 13C–H(HETEROCOSYMethods.

Mass Spectroscopy and Composite Problems: Ionisation and Mass analysis. Instrumentation, methods of ionization, EI, CI, DI, SI – Methods.Fragmentation : principles, odd and EE ions, molecular ion and base peak, Nitrogen rule, metastable ions. Isotope effects in chloro and bromo compounds.Stevenson rule. Fragmentation of :

i) Normal and Branched Alkanes. ii) Alkenes. iii) benzene and its derivatives.

iv) Alcohols. v) Aldehydes. vi) Ketones. vii) Acids. viii) Esters. ix) Ethers. x) Amines.

xi) Nitro compounds. xii) Halo compounds. xii) Peptides

Reference:

1. Introduction to Spectroscopy – by D.L.Pavia, G.M.Lampman and G.S.Kriz, 2. Saunders Golden Sunburst Series London, (1979). 3. Spectroscopic Identification of organic compounds – by R.M.Silverstein and 4. F.X.Webster, 6th Edition, Wiley and Sons, India Ltd (2006). 5. Organic Spectroscopy – by William Kemp, 3rd Edition, Palgrave publishers, (2002). 6. Organic Structural Spectroscopy – by J.B. Lambert, H.F.Shurvell, D.A.Lightner, 7. R.G.Cooks, Prentice Hall Publishers, Jersey (1998). 8. Organic Spectroscopy – by D.W.Brown, A.J.Floyd and M.Sainsbury, John Wiley and Sons. 9. Applications of Absorption Spectroscopy of Organic Compounds – by J.R Dyer 10. Prentice Hall Publishers, New Delhi (1969). 11. Interpretation of Mass Spectroscopy – by McLafferty. 12. Organic Spectroscopy – by V.R. Dani, Tata McGraw-Hill, Ltd (1995). 13. Spectroscopy of Organic Compounds – by P.S. Kalsi, 4th Edition, New Delhi (2005). 14. Organic Spectroscopy – by Jag Mohan (Narosa Publishing House) 2001.


30

CHE-PhD-2 OR 6 Advanced Organic synthesis

Unit – I

Retrosynthetic Analysis: Disconnection approach – Terminology, synthon, synthetic equivalent, functional group interconversion. One group C – X and two group disconnections. Applications of C – C disconnection in the synthesis of substituted 1,2- 1,3- and 1,4- bifunctional compounds. Retrosynthetic analysis and synthetic route for Alcohols, Benzocaine, Acetone cyanohydrin, p-Methoxyacetophenone, 6-Methyl quinoline, Pirindol, 6-methoxy indole –3- acetic acid. Application to the synthesis of Juvabione, Taxol, Longifolene, Prelog-Djerassi lactone.

Unit – II

Newer Reagents and Reactions:Methods of preparation, mechanism of action and application of the following reagents in Organic synthesis: i) DCC. ii) 1,3-Dithiane. iii) LDA. iv) DDQ. v) Tributyltinhydride. vi) Wilkinson Catalyst. vii) Crown ethers. viii) Trimethylsilyl iodide. ix) Bakers yeast. x) Gilman reagent. xi) Peterson reaction. xii) Woodward and Prevost hydroxylations

Unit – III

Oxidations and Reductions:Oxidations: Oxidation of organic compounds using KMnO4, PCC, OsO4, CrO3, K2Cr2O7, SeO2, Pb(OAc)4, HIO4, Oxygen, Oppaneur oxidation, Swern oxidation. Hydroboraton – Isomerisation and oxidation. Application in the synthesis of Esters, E - Z alkenes, Conjugated dienes, Alkynes. Reductions: Reduction of organic compounds using the following reagents: LiAlH4, NaBH4, Stereochemistry of carbonyl reduction, Dibal-H ,Dissolving metal reduction. Birch Reduction, Wolf-Kishner Reduction.(Huang-Minlon Modification)

Unit – IV

Newer reactions:Mechanism and Strategic applications of the following Named reactions : i) Suzuki coupling. ii) Prins reaction iii) Shapiro reaction.iv) Mitsunobu reaction. v) Robinson annulation. vi) Junjappa – Ila aromatic and heteroaromatic annulation. vii) Pauson-Khandreaction.viii) Simon -Smith reaction. ix) Huisgen 1,3-dipolar cycloaddition reaction x) Heck arylation.. xi) Hoffmann – Loffler- Freytag Reaction Modern Techniques in Organic Synthesis.. Reference:

1. Organic Synthesis –The Disconnection Approach - Stuart Warren 2. Designing Organic Synthesis – Stuart Warren. 3. Modern Synthetic Organic Chemistry –H.O.House, W.A.Benjamin INC, New York (1969). 4. Principles of Organic Synthesis –R.O.C.Norman and J.M.Coxon, 3rd Edition, Nelson Thrones, UK (2003). 5. Synthetic Approaches in Organic Chemistry –Raj K. Bansal, Narosa Publishing House (1998). 6. Modern Methods of Organic Synthesis –Carruthers. 7. Organic Reactions and Their Mechanisms –P.S. Kalsi, 2nd Edition, New Age International publishers (2002).


31

CHE-PhD-2 OR 7 Drug and Heterocyclic Chemistry

Unit-I

Drug design :Development of new drugs, procedures followed in drug design, concepts ofprodrugs and soft drugs. Theories of drug activity, Quantitative structure activityrelationship. Theories of drug activity, Quantitative structure activity relationship.History and development of QSAR. Concepts of drug receptors b) Study of the Following types of drugs: i) Antibiotics: Preparation of semi synthetic penicillin, conversion of penicillin into cephalosporin, general account of tetracycline &macrocyclic antibiotics(no synthesis) ii) Antimalerials: Trimethoprim iii) Analgesic & Antipyretics: Paracetamol, Meperidine, methadone, Aminopyrine.

Unit-II

Anti- inflammatory: Ibuprofen, Oxyphenylbutazone, Diclophenac, Indomethacin.ii) Antitubercular&antileprotic :Ethambutol, Isoniazide&Dapsoneiii) Anaesthetics : Lidocaine, Thiopental.iv) Antihistamines: Phenobarbital, Diphenylhydramine.v) Tranquilizers: Diazepam, Trimeprazine.vi) Anti AIDS: General studyvii) Cardiovascular: Synthesis of dilliazem, quinidine, methyldopa, atenolol, oxyprenolviii) Anti-neoplastic drugs: Cancer chemotherapy, Synthesis of mechloraethamine,cyclophosphamide, Mephalan, uracils, mustards. Recent development in cancerchemotherapy.Hormones and natural products.

Unit-III a) Small ring Heterocycles :Three membered and four membered Heterocycles- synthesis and reactions of aziridines,oxiranes, thiranes, azetidines, oxitanes and thietanes. b) Benzo fused five membered HeterocyclesSynthesis and reactions of benzopyrroles, benzofurans and benzothiophenes.

Unit-IV a) Six membered Heterocycles with one heteroatom :Synthesis and reactions of pyrilium salts and pyrones and their comparison pyridiniumand thiopyrylium salts and pyridones. Synthesis and reactions of coumarins, chromones.b) Six membered Heterocycles with two and more Heterocycles .Synthesis and reactions of diazines&triazines.c) Seven membered Heterocycles Synthesis and reactions of azepines, oxepines&thiepines. Reference: 1. Burger : Medicinal Chemistry. 2.A. Kar : Medicinal Chemistry (Wiley East) 3. W. O. Foye : Principals of medicinal chemistry. 4. Wilson, Gisvold&Dorque: Text book of organic medical and pharmaceutical chemistry 5. Pharmaceutical manufacturing encyclopedia. 6. R. M. Acheson : An introduction to chemistry of heterocyclic compounds


32

(Interscience). 7. Joule &Smith : Heterocyclic chemistry (Van Nostrand). 8. R. K. Bansal: Heterocyclic chemistry (Wiley E). 9. L. A. Paquitte : Principals of modern heterocyclic chemistry. 10. M. H. Palamer : The structure and reactions of heterocyclic compounds. 11. A. R. Katritzky: Advances in Heterocyclic chemistry (A.P.). 12. Finar: Organic chemistry (Vol. 1& 2) 13. Cohn &Stumpt : Outline of Biochemistry. 14. Williams : Introduction to the chemistry of enzyme action. 15. The Organic Chemistry of Drug design and Drug action, R. B. Silverman Academic press. 16. Strategies for Organic Drug synthesis and Design, D. Lednicer, J. Willey. 17. Heterocyclic Chemistry, Vol-1-3, R. R. Gupta, M. Kumar and V. Gupta, Springer Veriag. 18. The Chemistry of Heterocycles, T. Eicher and S. Hauptmann, Thieme 19. Heterocyclic Chemistry, J. A. Joule, K. Mills and G. F. Smith, Chapman and Hall 20. Heterocyclic Chemistry, T. L. Gilchrist, Longman Scientific Technical 21. Contemporary Heterocyclic Chemistry, G. R. Nikome and W. W. Poudler, Willey. 22. An Introduction to Heterocyclic Compounds, R. M. Acheson, J. Willey 23. Comprehensive Heterocyclic Chemistry, A. R. Katrizky and C. W. Rees.


33

CHE-PhD-2 OR 8

Bio organic chemistry

Unit-I a) Cell Structure and Functions:Structure of prokaryotic and eukaryotic cells, Intracellular organelles and their functions, comparison of plant and animal cells. Overview of metabolic processcatabolism and anabolism. ATP – the biological energy currency. Origin of life- unique properties of carbon, chemical evolution and rise of living system. Introduction to biomolecules, building blocks of bio- macromolecules.b) Enzymes :Structure activity and reactions, catalyzed determination of active site, inhibition mechanism chemical transformations using enzyme.

Unit-II Carbohydrates :Conformation of monosaccharides, structure and functions of important derivatives of monosaccharides like glycosides, deoxy sugars, myoinositol, amino sugars. Naceylmuramic acid, sialic acid disaccharides and polysaccharides.Structural polysccharides- cellulose and chitin.Storage polysaccharides- starch and glycogen.Structure and biological functions of glucosaminoglycans or mucopolysaccharides.Carbohydrates of glycoprotines and glycolipides.Role of sugars in biological recognition. Blood group substances. Ascorbic acid. Carbohydrate metabolism- Kreb’s cycle, glycolysis, glycogenesis and glycogenolysis, pentose phosphate pathway.

Unit-III Lipids :Fatty acids, essential fatty acids, structures and function of triglycerides, glycerophspholipids, sphingolipids, cholesterol, bile acids, prostaglandins. Lipoproteinscomposition and function, role in arthrosclerosis.Properties of lipid aggregates – micelles, bilayers, liposomes and their possible biological functions. Biological members .Fluid mosaic model of membrane structure. Lipid metabolism - _-oxidation of fatty acids

Unit-IV a) Amino acids, Peptides and Proteins :Chemical and enzymatic hydrolysis of proteins to peptides, amino acid sequencing. Secondary structure of protein, forces responsible for holding of secondary structures. _- helix, _-sheets, super secondary structure, triple helix structure of collagen. Tertiary structure of protein- folding and domain structure.Quaternary structure. Amino acid metabolism- degradation and biosynthesis of amino acids, sequence determination: chemical/ enzymatic/ mass spectral, racemization/ detection. Chemistry of oxytocin and tryptophan releasing hormone (TRH). b) Nucleic Acids:Purine and pyrimidine of nucleic acids, base pairing via H – bonding. Structure of ribonucleic acids (RNA) and deoxyribonucleic acid (DNA), double helix model of DNA and forces responsible for holding it.Chemical and enzymatic hydrolysis of nucleic acids.The chemical basis for heredity, an overview of replication of DNA, transcription, translation and genetic code.Chemical synthesis of mono and poly nucleosides. Rerference: 1.Principles of Biochemistry, A. L. Lehinger, Worth Publications. 2.Biochemistry, L. Stryer, W. H. Freeman. 3.Biochemistry, J. David Rawn, Neil Patterson. 4.Biochemistry, Voet and Voet, John Wiley. 5.Outlines of Biochemistry, E. E. Conn and P. K. Stumpt, John Wiley.


34

CHE-PhD-2 OR 9 Chemistry of Natural Products

Unit – I

Steroids and Steroidal Hormones: Structure, synthesis, stereochemistry and spectral features of Cholesterol and Ergosterol. Steroidal Hormones : Estrogenic hormones – Estrone. Androgenic hormones – Androsterone.Corpus Luteum hormones – Progesterone.Transformations in steroids and hormones.

Unit – II

Plant Products: Structure, synthesis, stereochemistry and spectral properties (wherever applicable) of the following : Alkaloids: Papaverine, Reserpine, Morphine, Lysergic acid, Physostigmine. Photochemical synthesis of Nuciferene, Corydaline, Tylophorine.Terpenoids: Zingiberene, α-Pinene, Gibberillic acid, Camphor, Caryophyllene, Abietic acid, Farnesol.

Unit – III

Prostaglandins and Lipids:Prostaglandins : Introduction, , nomenclature, classification and biological role of Prostaglandins. Structure elucidation and stereochemistry of PGE1.Synthesis of prostaglandins by Corey and Stork routes. Lipids: Sphingolipids and Glycolipids, Naturally occurring fatty acids and their triglycerides, Essential fatty acids, Unusual fatty acids, Methods of isolation: Gunstone’spartition method. Reactions of fatty acids – Fischer and trans esterification, Oxidation andAcyl group transfer reactions. Analytical values – Cetane number. Applications of GC, IR,1H NMR, 13C NMR and MS techniques in the study of their structures. Emulsions and Biodiesel.Oleochemicals and their applications in the synthesis of heterocycles.

Unit-IV

Biomolecules:Structure and synthesis of Nucleosides-Nucleotides. Methods of formation of internucleotide bonds. Polynucleotides, structure, formation and hydrolysis products ofDNA and RNA.Role of nucleic acids in protein synthesis.Genetic code.Peptide bond formation, Structure and StereochemistryPeptide linkage, Primary structure of peptides.C-terminal amino acid determination(Hydrazinolysis), N-terminal amino acid determination.Edman's and Sanger'smethod.Application of Dansyl chloride, Partial hydrolysis of peptides.Mass-spectra ofpeptides. Synthesis of peptides: Oxytocin, Glutathione, Merrifield Solid phase peptidesynthesis. Structure of proteins.

Reference:

1. Sterioids –Fieser and Fieser. 2. Organic Chemistry Volume-I, II - I. L. Finar, 6th Edition, ELBS London (2004). 3. Advanced Organic Chemistry part A and B –F.A. Carey and R.J. Sundberg, 4th Edition, Plenum Publishers (2000). 4. The Alkaloids Volume II – IV –K.W.Bentley. 5. The Chemistry of Alkaloids –S.W.Pelletier. 6. Terpenoids Volume I and II –P. De Mayo. 7. Prostaglandins –A. Mitra. 8. Industrial Oil and Products Volume – I - A. Baileys 9. Introduction to the Chemistry and Biochemistry of fatty acids and their Glycerides -F.D. Gunstone, Chapman and Hall, London (1980). 10. Introduction to Nucleic acids - Harber, Domagle and Muller.


35

CHE-PhD-2 OR 10

Conceptiual Organic Chemistry

Unit-I

Review of basic concepts of inductive effect, electromeric effect, resonance effect, hyperconjugation, the formalism of curved arrow mechanisms. Relationship between thermodynamic stability and rates of reactions - kinetic versus thermodynamic control of product formation – Hammond postulate - kinetic isotope effects with examples - catalysis by acids and bases and nucleophiles with examples from acetal, cyanohydrin and ester formation and hydrolysis reactions.

Unit-II

solvent effect, bulk and specific solvent effects - examples of solvent effect from SN2 substitution and E2 elimination reaction - introduction to carbon acids, pKa of weak acids. Concept of aromaticity, delocalization of electrons - Hückel’s rule, criteria for aromaticity, examples of neutral and charged aromatic systems – annulenes - NMR as a tool for aromaticity - anti- and homo-aromatic systems. Mechanism of electrophilic and nucleophilic aromatic substitution reactions, with examples.

Unit-III

Stereochemistry: Introduction to molecular symmetry and chirality – examples from common objects to molecules – axis, plane, center, alternating axis of symmetry. Stereoisomerism – definition based on symmetry and energy criteria – configuration and conformational stereoisomers. Center of chirality – molecules with C, N, S based chiral centers – absolute configuration - enantiomers – racemic modifications - R and S nomenclature using Cahn-Ingold-Prelog rules – molecules with a chiral center and Cn – molecules with more than one center of chirality – definition of diastereoisomers – constitutionally symmetrical and unsymmetrical chiral molecules - erythro, threo nomenclature – E and Z nomenclature – out/in isomers.

Unit-IV

Axial, planar and helical chirality – examples – stereochemistry and absolute configuration of allenes, biphenyls and binaphthyls, ansa and cyclophanic compounds, spiranes, exo-cyclic alkylidenecycloalkanes.

Topicity and prostereoisomerism – topicity of ligands and faces, and their nomenclature – NMR distinction of enantiotopic/diastereotopic ligands. Conformational analysis of acyclic and cyclic systems – substituted n-butanes – cyclohexane and its derivatives – decalins –fused and bridged bicyclic systems – conformation and reactivity some examples – chemical consequence of conformational equilibrium - Curtin-Hammett principle.


36

Reference:

1. Advanced Organic Chemistry, Part A: Structure and Mechanisms, F. A. Carey and R. A. Sundberg, , Fifth edition, Springer, New York, 2007

2. Mechanism and theory in organic chemistry, Second edition, T. H. Lowry and K. S. Richardson, Harper & Row, New York, 1981

3. Physical Organic Chemistry, N. S. Isaacs, ELBS, Longman, UK, 1987. 4. Stereochemistry of Organic Compounds. Principles and Applications, D. Nasipuri, Second

Edition, Wiley Eastern Limited, New Delhi, 1994. Ch.2-6 and 9-12. 5. Stereochemistry, D. G. Morris, , RSC Tutorial Chemistry Text 1, 2001 6. Stereochemistry of Organic Compounds, E. L. Eliel and S. H. Wilen, , John Wiley & Sons,

New York, 1994. 7. Principles of Biochemistry 6th edition, 2006 - Jeremy M. Berg, John L. Tymoczko and

LubertStryer (W.H. Freeman & Co.) 8. Lehninger Principles of Biochemistry 5th edition, 2008 - Nelson, D. L. and M. M. Cox. (W. H.

Freeman &Co.). 9. Outlines of Biochemistry 5th edition 2001- Conn, E.E., Stumpf, P. K. Bruening, G. and Doi,

R.H. (John Wiley and Sons). 10. Harper’s Illustrated Biochemistry - R.K. Murray et al. (McGraw Hill) .


37

CHE-PhD-2 OR 11 Organic Industrial Analysis

Unit-I

Analysis of oils, fats, soaps and detergents :Introduction to natural fats and oils, Analysis of oils and fats: Softning point, Congentpoint, Titre point, cloud point, Iodine, Saponification, acid, hyroxyl, R-M and Polenskevalue, Elaidentest.Introduction to soaps, analysis of soap (saponifiable, unsaponifiable)and for unsaponified matter in soaps, Estimation of free alkali and phenol in soap.Classification of detergents (in Brief): Analysis of active ingredients from detergents( methylene blue and Hyamine-1622 method); Estimation of CMC, Chlorides, total phosphates etc.

Unit- II Analysis of cosmetics:a) Composition of creams and lotions: Determination of water, porpylene glycolnon-volatile matter and ash content. Determination of borates, carbonates sulphate,phosphate, chloride, titanium and Zinc oxide.b) Analysis of face powder: Estimation of boric acid, Mg, Ca, Zn, Fe, Al, and Ba.c) Analysis of ingredients of hair dyes.

Unit- III Food Analysis: Food flavours ,foodcolours, food preservatives, Milk and milk products , fluorstaches ,honey, jam, and their major component analysis

Unit-IV Analysis of petroleum products:Cloud point, pour point, flash point, vapour pressure, specific gravity and theirdetermination, Estimation of ‘S’ and ‘Pb’ in petrol Reference: 1. S. R. Junk and H. M. Pancoast: Hand book of sugars(AVI) 2. B. Bilot and B. V. Well: Perfumary technology (JW) 3. I. M. Kolthoff: Treatise on Analytical Chemistry Vol. I and II 4. D. Pearson: Laboratory techniques in food analysis. 5. S. Ranganna: Handbook of Analysis and Quality control for fruits and vegetable products, 2nd Ed.(McGraw Hill.) 6. Nicholls : Aids to the analysis of foods and drugs. 7. G. J. Mountrey: Poultry product technology (AVI) 8. Karamer Twig: Quality control for food industry (AVI) 9. G. F. Longonan: the analysis of detergents and detergent products (JW) 10. A. Davidsohn& B. M. Mlwidaky : Synthetic detergents (Book center, Mumbai) 11. M. Ash and L. Ash: A formulary of cosmetic preparations. (G. Goodwin) 12. Kurl Bauer, Dorothea Garhe, Horst Surburg: Common fregrance and flavour materials, (VCH publisher, New York) 13. F. J. Welcher: Standard Methods of Chemical analysis Vol I & II (6th Ed.)


38

CHE-PhD-3 PH 1 PRINCIPLES OF PHYSICAL CHEMISTRY

UNIT-I

Thermodynamics-I Classical thermodynamics - Brief review of fist and second laws of

thermodynamics- entropy change in reversible and irreversible processes- Entropy of mixing of

ideal gases Entropy and disorder- Free energy functions- Gibbs –Helmoltz equation- Maxwell partial

relations- Conditions of equilibrium and spontaneity- Free energy changes in chemical reactions:

Van’thoff equation –Classiussclapeyron equation partial molar quantities- Chemical potential –

Gibbs –Duhem equation-partial molar volume- determination of fugacity- Thermodynamics

derivation of Raoults Law.

UNIT-II

Surface phenomenon and phase equilibria - surface tension- capillary action- pressure difference

– across curved surface(young –laplace equation)- Vapour pressure of small droplets(Kelvin

equation)- Gibbs-Adsorption equation- BET- equation –Estimation of surface area- catalytic activity

of surfaces-ESCA and Augar electron spectroscopy.

Surface active agents - classification of surface active agents- Micillisation- critical Micelle

concentration (CMC) - factors affecting the CMC of surfactants, nicroemulsions- reverse licelles-

Hydrophobic interaction.

UNIT-III

Electrochemistry-I - Electrochemical cells – measurement of EMF – Nernst equation Equilibrium

constant from EMF data –pH and EMF data- concentraon cells with and without transference –

Liquid junction potential and its determination –Activity coefficients – Determination by EMF

method- Determination of solubility product from EMF measurements. Debye Huckel limiting law

and its verifications.

Effect of dilution in equivalent conductance of ele ctrolytes – anomalous behaviour of strong

electrolytes. Debye Huckel-Onsagar equation- verification and limitations- Bjerrum treatment of

electrolytes- conduct metric titrations.


39

UNIT-IV

Chemical kinetics - Methods of deriving rate laws- complex reactions- Rate expressions for

opposing parallel and consecutive reactions involving unimolecular steps. Theories of reaction rates

– collision theory- Steric factor- Activated complex theory- thermodynamic aspects- Unimolecuar

reactions- Lindemann’s theory- Lindemann- Hinshelwood and RRKM theories. Reactions in

solutions- Influence of solvent- Primary and secondary salt effects- Elementary account of linier free

energy relationships – Hammet- Taft equation- Chain reactions – Rate laws of H2-Br2 ,

photochemical reaction of H2-Cl2 Decomposition of acetaldehyde and ethane – Rice – Herzfeld

mechanism.

References :

1. Physical chemistry P.W. Atkins, 2. Chemical Kinetics- KJ. Laidler, McGrawhill pub. 3. The text book of physical chemistry, Samuel Glasstone, Mcmillan Pub. 4. Physical Chemistry, G.W. Castellan. Narosa


40

CHE-PhD-3 PH 2

APPLIED PHYSICAL CHEMISTRY AND CHEMICAL DYNAMICS

Unit – I: Statistical Thermodynamics: Basic terms: Probability, cell, phase space, micro and macro states, thermodynamic probability, statistical weight factor, statistical equilibrium, assembly, ensemble and its classification, Derivation of Boltzmann-Maxwell, Bose-Einstein and Fermi-Dirac statistics, partition function and derivations of translational, rotational, vibrational and electronic partition functions, thermodynamic functions such as internal energy, heat capacity, entropy, work function, pressure, heat content, etc.. Partition function and third law of thermodynamics, applications of partition function to mono atomic gases, diatomic molecules, equilibrium constant and equilibrium constants of metathetic reaction and Numericals.

Unit – II: Polymer and Surface Chemistry:Macromolecules: Polymer – definition, types of polymers, electrically conducting, fire resistant, liquid crystal polymers, kinetics of polymerization, mechanism of polymerization. Molecular mass number and mass average molecular mass, molecular mass determination (osmometry, viscometry, diffusioin and the light scattering methods), sedimentation, chain configuration of macromolecules, calculation of average dimensions of various chain structures. Adsorption: Surface tension, capillary action, pressure difference across curved surface (Laplace equation), vapour pressure of droplets (Kelvin equation), Gibbs adsorption isotherm, estimation of surface area (BET equation), surface films on liquids (Electro kinetic phenomenon), catalytic activity at surfaces.

Unit – III: (a) Fugacity and Activity: Definition, determination of fugacity by graphical method, equation of state, approximate and generalized methods, variation of fugacity with temperature and pressure, fugacity of solids and liquids, mixture of ideal gases and real gases. Activity and activity coefficients in liquid solutions and Numericals. (b) The Debye-Huckel Theory: Ionic interactions in solutions, electric potential of ionic atmosphere, electrical free energy and activity coefficients, mean ionic activity coefficients (D-H limiting law), applications of D-H theory, quantitative and qualitative uses, solubility in presence of added electrolyte and osmotic coefficient and Numericals.

Unit – IV: Chemical Dynamics: Dynamic Chain (hydrogen-bromine reaction, pyrolysis of acetaldehyde, decomposition of ethane), photochemical (hydrogen-bromine and hydrogen-chlorine reactions) and oscillatory reactions (Belousov – Zhabotinsky reaction), homogeneous catalysis, kinetics of enzyme reactions, general features of fast reactions, study of fast reactions by flow method, relaxation method, flash photolysis and the nuclear magnetic resonance method. Reference Books: (1) Barrow G M : Physical Chemistry, 5th Ed, Mcgraw Hill Co. (1968). (2) Atkins P W : Physical Chemistry, 3rd Ed, EIBS (1987). (3) GlasstoneS : Textbook of Physical Chemistry, Affiliated East West Press. (4) GlasstoneS : Thermodynamic for Chemists, Affiliated East West Press. (5) Gurdeep and Rajesh : Thermodynamics, Goel Publishing House, Meerut. (6) Gowarikar U R, Vishwanathan N V, ShreedharJ : Polymer Science, Wiley Eastern Ltd. (7) Hennay H B : Solid State Chemistry, Prentice Hall Inc. (8) Laidler K J : Chemical Kinetics, Mcgraw Hill.


41

CHE-PhD-3 PH 3

ADVANCED PHYSICAL CHEMISTRY Unit – I

Electrochemistry: Determination of dissociation constants of mono and polybasic acids, conductivity, EMF and spectrophotometric methods, non aqueous titrations, types of solvents, leveling effect, choice of solvent, influence of dielectric constant, polarization and over voltage, theories of hydrogen over voltage.

Unit – II Polarography: Detailed basic principles, origin of different types of current, theory of capacity current, equation of polarographic wave, maxima in polarography, origin and suppression, Ilkovik equation, effect of pH on E1/2, determination of unknown concentration, determination of stability constants of a simple complex which is reversibly or irreversibly reduced. Electronic Properties and Band Theory: Metals, insulators and semiconductors, electronic structure of solids-band theory, band structure of metals, insulators and semiconductors. Intrinsic and extrinsic semiconductors, doping semiconductors, p-n junctions, super conductors. Optical properties- Optical reflectance, photoconduction. Magnetic Properties- Classification of materials: quantum theory of paramagnetic cooperative phenomena-magnetic domains, hysteresius.

Unit – III Nuclear Chemistry: Nuclear properties, binding energies, nuclear force radii, angular momentum in nuclear chemistry, spin magnetic and quantum moments, pairing energy, Square Well and Wood Saxon potentials, Nuclear Models: Fermi, Shell, Collective, nuclear reaction energetic, Q values and thresholds, barriers for charged particles, cross section, partial cross sections, elastic scattering, energy changes in fission and fusion, synthesis of some radioactive elements like Na, P, S, Y and Br, accelerators, use of radioactive isotopes as tracers.

Unit – IV The properties of solutions: Ideal solutions : properties, the DuhamMargules equation, vapour pressure curves, compositions of liquid and vapour in equilibrium, influence of temperature on gas solubility, and solid-liquid equlibria, Non ideal solutions: deviation from ideal behavior, vapour pressure curves, liquid and vapour compositions, general equation for liquid mixtures, partially miscible liquids, Dilute solutions : Henry’s law, determinations of molecular weights from freezing and boiling points. Numericals. Reference : (1) Barrow G M : Physical Chemistry, 5th Ed, Mcgraw Hill Co. (1968). (2) Atkins P W : Physical Chemistry, 3rd Ed, EIBS (1987). (3) GlasstoneS : Introduction to Electrochemistry, Affiliated East West Press. (4) S Baluja : Nuclear chemistry and Radio activity, SaurashtraUniversty, Rajkot.


42

CHE-PhD-3 PH 4 SOLID STATE CHEMISTRY

Unit-I

Crystal Structure: Crystalline and amorphous solids; crystal systems, point groups: methods of characterizing crystal structure - Powder x-ray diffraction, electron and neutron diffraction; types of close packing - hcp and ccp, packing efficiency, radius ratios; polyhedral description of solids; structure types -NaCl, ZnS, Na2O, CdCl2, wurtzite, nickel arsenide, CsCl, CdI2, rutile and Cs2O, perovskite ABO3, K2NiF4, spinels.

Unit-II

Preparative methods: Solid state reaction, chemical precursor method, co-Precipitation, sol-gel, metathesis, self-propagating high temperature synthesis, ion exchange reactions, intercalation / deintercalation reactions; hydrothermal and template synthesis; High pressure synthesis

Methods of Single Crystal Growth: Solution growth; Melt Growth-Bridgeman, Czochralski, Kyropoulus, Verneuil; Chemical Vapour Transport; Fused Salt Electrolysis; Hydrothermal method; Flux Growth.

Unit-III

Characterization:Thermal analysis: TGA, DTA, DSC Electrical properties: Band theory of solids -metals and their properties; semiconductors - extrinsic and intrinsic, Hall effect; thermoelectric effects (Thomson, Peltier and Seebeck); insulators - dielectric, ferroelectric, pyroelectric and piezoelectric properties; ionic conductors.

Unit-IV

Magnetic properties: Dia, para, ferro, ferri, and antiferro magnetic types; soft and hard magnetic materials; select magnetic materials such as spinels, garnets and perovskites, hexaferrites and lanthanide-transition metal compounds; magnetoresistance. Optical properties: Luminescence of d- and f- block ions; structural probes; up and down conversion materials. Superconductivity: Basics, discovery and high Tc materials. Additional Topics: Amorphous materials, zeolites, fullerenes and nanocrystalline solids.

Reference:

1. R. West, Solid State Chemistry and its Applications, John Wiley & Sons, 1984. 2. L. Smart and E. Moore, Solid State Chemistry - An Introduction, Chapman & Hall, 1992. 3. H. V. Keer, Principles of the Solid State, Wiley Eastern Limited, 1993. 4. K. Chakrabarty, Solid State Chemistry, New Age Publishers, 1996.


43

CHE-PhD-3 PH 5

EQUILIBRIUM AND STATISTICAL THERMODYNAMICS

Unit-I

Advanced Classical Thermodynamics: Concept of entropy, reversible and irreversible processes, Clausius inequality, Free energies, Criteria of spontaneity. Fundamental equations for open systems, Partial molar quantities and chemical potential, Gibbs-Duhem equation, Real gases and fugacity. Thermodynamics of ideal and non-ideal solutions: Liquid-liquid solutions, liquid-solid solutions, multicomponent systems and excess thermodynamic properties, Activity of ideal, regular and ionic solutions.

Unit-II

Strong electrolytes, Debye-Huckel limiting law and its extensions, activity coefficients and ionic strength, Applications of Debye-Huckel Theory.Thermodynamic equation of state. Phase behavior of one and two component systems, Ehrenfest classification of phase transitions.

Unit-III

Statistical Thermodynamics: Concept of ensembles, Canonical ensemble, Boltzmann distribution, Thermodynamic quantities and canonical partition function. Grand canonical ensemble, Fermi-Dirac and Bose-Einstein distributions. Molecular partition functions, Translational, rotational and vibrational partition functions. Ideal monoatomic and diatomic gases, Classical partition functions, thermodynamic properties, Equipartition theorem, Chemical equilibrium.

Unit-IV

Real gases, intermolecular potential and virial coefficients.Debye and Einstein theory of heat capacity of solids. Structure and thermal properties of liquids, Pair correlation functions. Linear response theory, Irreversible processes, Onsager's law, Entropy production, Non-equilibrium stationary states.

Reference:

1. P. Atkins and J. Paula, Physical Chemistry, 8th Edition, Oxford University Press, Oxford 2006.

2. D. A. McQuarrie and J. D. Simon, Molecular Thermodynamics, University Science Books, California 2004.

3. R. S. Berry, S. A. Rice and J. Ross, Physical Chemistry, 2nd Edition, Oxford University Press, Oxford 2007.

4. D. A. McQuarrie, Statistical Mechanics, University Science Books, California (2005). 5. B. Widom, Statistical Mechanics - A Concise Introduction for Chemists, Cambridge

University Press 2002. 6. D. Chandler, Introduction to Modern Statistical Mechanics, Oxford University Press 1987.


44

CHE-PhD-3 PH 6

CHEMICAL KINETICS

Unit-I

Theories of Reaction Rates: Potential energy surfaces-adiabatic and non-adiabatic curve crossing Processes- transition state theory- activation/thermodynamic parameters. Various theories of Unimolecular reactions (Lindemann- Christiansen hypothesis; Hinshelwood, RRK and RRKM theories; non RRKM behavior) .

Unit-II

Elementary Reactions in Solutions: Influence of solvent properties on rate. Different types of molecular interactions in solution. Diffusion and activation controlled reactions. Kinetics in the Excited State: Jablonski diagram. Kinetics of Unimolecular and bimolecular photophysical and photochemical processes. Resonanceenergy transfer rates-Fluorescence quenching kinetics in solution and gas phase.

Unit-III

Fast Reaction Kinetics: Relaxation methods, Stopped flow method, Laser Flash Photolysis, flow tube methods, and Laser based experimental techniques. Experimental set up for Unimolecular decomposition studies. State to state dynamics.Molecular beam studies.

Unit-IV

Electrode Kinetics: Metal/solution interface- Dependence of electrochemical reaction rate on overpotential-current density for single step and multi-step processes-Influence of electrical double layer on rate constants. Activation and diffusion controlled processes- Marcus kinetics and quadratic dependence of Gibbs free energies-electron transfer processes involving organic and inorganic compounds. Different types of overpotentials- polarization behavior-Mechanism of hydrogen evolution and oxygen reduction in acid and alkaline media- Experimental methods for elucidation of reaction mechanism.

Reference:

1. Chemical Kinetics and Dynamics; Jeffrey I Steinfeld, Joseph S. Francisco and William L. Hase. Prentice Hall, 2nd edition, 1998.

2. Laidler, K. J.; “Chemical Kinetics", 3rd Edition 1997 , Benjamin-Cummings. Indian reprint - Pearson 2009.

3. Laser Spectroscopy- Basic concepts and instrumentation – W. Demtroder (Springer 3rd edition, 2004).

4. K. K. Rohatgi - Mukkerjee, “Fundamentals of Photochemistry”, Wiley Eastern td., 1992. 5. W.J.Albery; Electrode kinetics Clarendon Press, Oxford 1975. 6. C.H. Banford and R.G. Compton (ed) Comprehensive chemical kinetics, Vol 26 Electrode

kinetics – principles and methodology, Elsevier science publishers 1986


45

CHE-PhD-3 PH 7

SURFACE, INTERFACES, DISPERSED SYSTEMS AND MACROMOL ECULES

Unit-I

Surfaces and interfaces: Types of interfaces. Liquid surfaces: Microscopic picture of interfaces; curved interfaces; Young -Laplace and Kelvin equations; capillary condensation; surface tension; measuring surface tension. Solid-liquid interfaces: Contact angle and wetting, Gibbs adsorption isotherm.

Unit-II

Solid surfaces: External and internal surfaces; Bulk and surface structure of FCC, BCC and HCP metals; Notation of surface structures; Relaxation and reconstruction of surfaces; homogeneous and heterogeneous surfaces. Solid-gas interfaces: Types of adsorption; Adsorption isotherms – Langmuir, Tempkin and BET. Determination of surface area of adsorbents; temperature dependence of adsorption isotherms.

Unit-III

Dispersed systems: Types of dispersions; Spontaneous self-rganization; Surfactants: structure of surfactants in solution; critical micellation concentration (CMC); temperature dependence; influence of chain length and salt concentration; surfactant parameter. Emulsions: macro- and micro-emulsions; aging and stabilization of emulsions; Phase behaviour of microemulsions. Colloids, vesicles, lipid bilayer membrane: structure and properties, monolayers, liquid crystals, foams and aerosols.

Unit-IV

Macromolecules: Introduction, Classification, Nomenclature, Viscosity, Molecular weight determination, Flory-Huggins theory, Amorphous and semicrystalline states, glass transition and related theories, melt transition, viscoelasticity, Maxwell-Voight models, Rubber elasticity – thermodynamic theories.

Reference:

1. A.W. Adamson, A.P. Gast, Physical chemistry of surfaces, Wiley, 1997. 2. H.-J. Butt, K. Graf, M. Kappl, Physics and Chemistry of Interfaces, Wiley-VCH, 2006. 3. D.K. Chakrabarty and B. Viswanathan, Heterogeneous Catalysis, New Age, 2008. 4. H. Kuhn, H.-D. Forsterling, D.H. Waldeck, Principles of Physical Chemistry, Wiley, 2009. 5. G.A. Somorjai, Y. Li , Introduction to Surface Chemistry and Catalysis (2n ed.), 2010. 6. Advanced Polymer Chemistry, ManasChanda, Marcel Dekker, Inc.New York 2000. 7. Polymer Science and Technology, J. R. Fried, Prentice-Hall of India Pvt. Ltd., New Delhi,

1999.


46

CHE-PhD-3 PH 8

PRINCIPLES OF QUANTUM MECHANICS

Unit-I

Review of vectors and vector spaces, matrices and determinants, eigenvalues and eigenvectors, similarity transformations, ordinary differential equations- first and second order.Solution of differential equations by power series method: solutions of Hermite equation in detail. Orthogonality properties and recurrence relations.Introduction to the solutions of Legendre and Laguerre differential equations, Spherical Harmonics. Introduction to Fourier series and Fourier transforms, convolution theorem.

Unit-II

Solution of the Schrodinger equation for exactly solvable problems such as particle-in-a- box, particle-in-a-ring, harmonic oscillator and rigid rotor.Tunneling, one dimensional potential barriers and wells.Postulates of quantum mechanics, wave functions and probabilities, operators, matrix representations, commutation relationships.Hermitian operators, Commutators and results of measurements in Quantum Mechanics.Eigenfunctions and eigenvalues of operators and superposition principle.States as probability distributions and expectation values.The expansion of arbitrary states in terms of complete set.

Unit-III

Angular momentum, commutation relationships, basis functions and representation of angular momentum operators, Coupling (addition) of angular momenta, Clebsch-Gordan coefficients and Wigner-Eckarttheorem.Solution of the Schrodinger equation for the hydrogen atom, radial and angular probability distributions, atomic orbitals and electron spin, Pauli’s exclusion principle and Aufbau principle.

Unit-IV

The time dependent Schrödinger equation.Co-ordinate and momentum space representation of operators and eigenstates; Properties of eigenstates – single-valuedness, double differentiability, continuity, boundedness / square integrability. Discrete and continuous distributions; Unitary evolution and reversibility. Schrodinger and Heisenberg representations.Projections and irreversibility. Time-independent perturbation theory, degenerate states, variational method, Hellmann-Feynman theorem Spectra and structure of helium atom, term symbols for atoms.

Reference:

1. D. A. McQuarrie, Quantum Chemistry, University Science Books, 1983. 2. P. W. Atkins, Molecular Quantum Mechanics, 2nd edition, Oxford University Press, 1983. 3. I. N. Levine, Quantum Chemistry, 3rd edition, Allyn and Bacon, 1983. 4. D. J. Griffiths, Introduction to Quantum Mechanics, Pearson Education, 2005. 5. H. Kuhn, H.-D. Försterling, and D.H. Waldeck, Principles of Physical Chemistry, 2nd Edn.,

Wiley, (2009). 6. J. P. Lowe, Quantum Chemistry, K. A. Peterson, Third edition, Academic Press, 2006. 7. Principles of quantum chemistry, R.K.Prasad, McgrwHill publications.


47

CHE-PhD-3 PH 9

PHOTOCHEMISTRY

Unit-I

Principles and concepts: An overview of: Laws of photochemistry, Beer-Lambert law, electronic energy levels, atomic and molecular term symbols, singlet-triplet state, intensity and strength of electronic transition, selection rules for electronic transition, Jablonski diagram and hotophysical processes, Franck-Condon principle. Excited state lifetime, steady state and time resolved emission, factors affecting excited state energy: solvent effect, TICT.

Unit-II

Excited state kinetics, quantum yield expressions, excimer and exciplex, kinetics of luminescence quenching: static and dynamic, Stern-Volmer analysis, deviation from Stern-Volmer kinetics. Photoinduced electron transfer rates, free energy dependence of electron transfer on rate, Photoinduced energy transfer, FRET, rate and efficiency calculation of FRET.

Unit-III

Methods: Measurement of fluorescence and phosphorescence and lifetimes. Introduction to time-resolved techniques for absorption and emission measurements, detection and kinetics of reactive intermediates.Examples of low temperature matrix isolation of reactive intermediates.

Unit-IV

Reactions: Photochemistry of alkene, cis-trans isomerization, photocycloaddition reactions of alkene, photochemical electrocyclic and sigmatropic reactions, di-pi-methane rearrangment, electron transfer mediated reactions of alkene. Photochemistry of carbonyl compounds, Norrish type I and type II reactions, enone and dienonecycloadditions. Photochemistry of aromatic systems, electron transfer and nucleophilic substitution reactions.Photochemistry of nitro, azo and diazo compounds.Photochemistry involving molecular oxygen, generation and reactions of singlet oxygen.

References:

1. Fundamental of Photochemistry, K. K. Rohatgi-Mukherjee, New Age International (P) Ltd., New Delhi, 1986.

2. Principles of Fluorescence Spectroscopy, 3rd Ed., J. R. Lakowicz, Springer, New York, 2006. 3. Fundamentals of Photoinduced Electron Transfer, G. J. Kavarnos, VCH publishers Inc., New

York, 1993. 4. Molecular Fluorescence: Principles and Applications, B. Valeur, Wiley-VCH Verlag GmbH,

Weinheim, 2002. 5. Modern Molecular Photochemistry of Organic Molecules, N. J. Turro, V. Ramamurthy, J. C.

Scaiano, University Science, Books, CA, 2010.


48

CHE-PhD-3 PH 10 NUCLEAR AND RADIO CHEMISTRY

Unit-I

Brief introduction of radioactivity, mass defect, binding energy, mean bindingenergy of stable nuclei. Disintegration theory: Nuclear stability and groupdisplacement law. Synthesis of radioisotopes: 14C, 3H, 35S, 36Cl, 82Br, 131I, 32P.Contribution of the discovery of artificial radioactivity in the field of heavy elementchemistry.

Unit-II Detection and measurement of radioactivity: Ionization chamber, Geiger- Muller,proportional, scintillation counters, Wilson cloud chamber, Health physicsinstrumentation: Film badges, Pocket ion chambers, portable counters and surveymeters, Accelerators: Van de Graff and cyclotron.

Unit-III Nuclear fission and fusion. Nuclear reactor: Characteristics of nuclear reactors andtheir applications. Nuclear reactors in India. The four factor formula:The reproductionfactor, reactor power, life and critical size of reactor, and breeder Isotope effects and isotopic exchange reactions: Isotope effect: Definition, physicaland chemical isotope effects. Generalities of isotope effects. Isotopic exchange: basicconcept, characteristics of isotopic exchange, mechanism of isotopic exchange,kinetics of homogenous and heterogeneous isotopic exchange reactions, selfdiffusion,and surface measurements.5 Primary radiation – Chemical Process, Direct interaction of radiation with matter,ionization, excitation, neutron impact. Basic reactions involving active speciesproduced in the primary act, and Radiation dosimetry.

Unit-IV Tracer: selection of radioisotopes as tracer, Application of radioisotopes as tracersanalytical,physicochemical, medical, agriculture and industrial applications.Neutron activation analysis. Radiometric titrations and isotope dilution techniques.Radiopharmaceutical, radioimmunoassay and radiation sterilization. Reference: 1. Nuclear Chemistry and its applications – By. Haissionsky – Addison Wesley 2. Nuclear and Radio Chemistry – By. G. Friedlander, J. W. Kennedy, E. S. Macias and J. M. Miller – A Wiley – Interscince Publication, John Wiley and Sons –III rd Edition. 3. Radio Chemistry – By An. N. Nesmeyanov, Mir Publishers. 4. Artificial Radioactivity – By. K. NarayanaRao and H. J. Arnikar – Tata McGrawHill Publishing Company Ltd. New Delhi


49

CHE-PhD-3 PH 11 ELECTROCHEMISTRY

Unit-I

Ionics: Ions in solution:Deviationf rom ideal behavior. Ionic act ivity, ion-solvent and ion-ion interactions.Expression for f ree energy. Debye-Huckel-Bjerrum model.Expression for the mean act ivitycoef f icient.Applicat ions of Debye-Huckel limiting law -Diverse ion effect – Extent of dissociat ion of a weak electrolyte in the presence of an iner t electrolyte. Arrhenius theory.Limitat ions, van’t Hof f factor and its relat ion to colligative proper t ies.Debye-Huckel theory of strong electrolytes. Debye Huckel length and potent ial around a cent ral ion, its interpretat ion Transpor t of ions in Solut ion: Electrolytic conduct ion- Debye-Huckel-Onsager treatment of the conductance of strong electrolyte-Experimental ver if ication and limitat ions. Evidence for the existence of ionic atmosphere. Ion associat ion and triple ion format ions. Anomalous conductance of non aqueouselectrolyticsolut ion. Abnormal mobility of hydrogen and hydroxyl ions.

UNIT - II Electrical Double Layer: Introduction to electrical double layer Evidences for electrical double layer. Electrocapillary phenomena-Electro capillary curves, surfactants –Lipmann’s equat ion, interpretat ion and electro-kinetic phenomena. Zeta potential and its applicat ions. . Structure of electrical double layer Helmholtz-Perr in, Guoy-Chapmann and Stern models of electrical double layer- Applicat ions and limitat ions.

UNIT - III Electrodics of elementary electrode reactions: Behavior of electrodes:Standard electrodes and electrodes at equilibrium. Ohmic and non-Ohmic behaviors .Study of electrode reaction.The model of three electrode system. Sign convent ions. Rates of electro chemical react ions. Over potential and chemical & electro chemical condit ions for the discharge of ions. . Rates of simple electrode react ions Elementary electron electrode process. But ler-Volmerequat ion-Exchange current density and symmetry factor-Experimental determinat ions-Electrode rectificat ion. Nernst equat ion as a special case of But ler -Volmerequat ion – Reaction resistance- Polar isable& non-polarisable electrodes-Low and high f ieldapproximat ions-Tafelequat ions. .

UNIT - IV Electrodics of multistep multi electron system: Rates of multi step electrode react ionsExamples of multi electron react ions. But ler -Volmerequat ion for a multi step reaction. The concept of rate determining step of an electrode react ion. Transfer coef f icients and stoichiometric number . Electro-chemical react ion mechanisms Proposal of electro-chemical reaction mechanisms- Electrochemical react ion order. Surface coverage-Rate expressions.Reduct ion of (i) I3 - and (ii) Fe2+ . Dissolution of iron to iron(I I) . Over voltage and evolut ion of (i) oxygen and ( ii) hydrogen at differentpH. Symmetry factors vs transfer coef f icients. Reference: 1. J.O.M.Bockris and A.K.N.Reddy, “Morden Electro chemistry” vol.1 & 2, Plenum Press , New York ,1970. 2. S.Glasstone, “Electro chemistry”, Affiliated East-West Press, Pvt., Ltd., New Delhi, 1974. 3. L.Antropov , “Theoretical Electro Chemistry”, Mir Publications , Moscow , 1977.


50

CHE-PhD-3 PH 12

MOLECULAR AND STATISTICAL REACTION DYNAMICS AND SCA TTERING

Unit-I

Statistical dynamics: Transition state Theory – Thermodynamics formulation; micro-canonical and variational transition state theory; flexible transition states. Unimolecular reaction dynamics, RRK and RRKM models, thermal activation, density of state. State preparation and intra molecular vibration energy distribution; stochastic master equation approach dynamical approaches to unimolecular reaction rates.

Unit-II

Electron transfer reactions, Marcus model. Statistical density operator for molecular states and the equations of motion for chemical system; Chemical reactions in solutions, diffusion equation, Kramer’s and Grote –Hynes models. Quantum theory of reaction rates – flux-flux correlation function approach. Kubo formalism Quantum transition state theory.

Unit-III

Molecular dynamics: Potential energy surface, bimolecular reaction, elementary quantum dynamics. Microscopic reversibility and detailed balance. Different forms for intermolecular potentials. Statistical sampling for simulations. The Metropolis Monte Carlo method; finite difference methods such as verlet algorithm and predictor-corrector methods. Introduction to quantum Monte Carlo.Procedure. Introduction to time-correlation and autocorrelation functions.

Unit-IV

Molecular Scattering (elementary aspects only): Bimolecular collisions, collision number two-body classical scattering. Cross sections, intermolecular potentials, import parameter principle of microscopic reversibility. Quantum theory of scattering: particles in central potentials partial waves, Born approximation optical theorem. Formal time independent scattering theory.The S matrix.The Lippmann – Schwinger equation – for structureless particles.Rate of change of observables, collision rates in ensembles and the relaxation equation. The wave (Moller) operator and time dependent collision theory, time reversal and reciprocity

Reference:

1. Steinfeld, J. I., Francisco, J.S. and W.L., Chemical Kinetics and Dynamics, Prentice Hall, New Jersey, 1998.

2. Baer, T and Hase, W.L., Unimolecular Reaction Dynamics: Theory Experiments, Oxford University Press, Oxford, 1996.

3. Allen, D.J. and Tildesley, M.P., Computer Simulation in Liquids, Oxford University Press , U.S.A., 1996.

4. Haile, J.M., Molecular Dynamics Simulations, Wiley, U.S.A., 1997. 5. Taylor, J.R., Scattering Theory: The Quantum Theory of Non-relativistic Collisions, Dover,

New York, 2006. 6. Levine, R.D., Molecular Reaction dynamics, Cambridge University Press, 2006. 7. Levine, R.D., Quantum Mechanics of Molecular Rate Processes, Dover, New York, 1999. 8. W.H. Miller, in Dynamics of Chemical Reactions, ed.R.E. Wyatt, Marcel-Dekker, U.S. A.,

1998.


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CHE-PhD-3 PH 13 SURFACE CHEMISTRY

Unit I:

Adsorption and surface phenomenon:Physisorption and chemisorption , adsorption isotherms, Langmuir and B. E. T.equation and significance in surface area determination, surface films, states of insoluble films, L. B. films and their application, adsorption from solution, adsorption types, surface excess concentration , Gibb's adsorption equation : derivation , significance and experimental verification , catalytic activity of surfaces.

Unit II Micelle: Surface activity, surface active agents and their classification, micellisation, critical micelle concentration ( cmc) thermodynamics of micellisation , factors affecting cmc, methods of determination of cmc , reverse micelle , solubisation of water insoluble organic substances , use of surfactants in oil recovery ,

Unit III: Emulsion:Types of emulsion, theories of emulsion and emulsion stability, identification of emulsion types, inversion emulsion, microemulsion : theory and application , Unit IV: Liquid gas and liquid interfaces: Surface tension, capillary action, methods of determination of surface tension,surface tension across curved surfaces, vapor pressure of droplet ( Kelvin equation) , surface spreading , spreading coefficient, cohesion and adhesion energy,

Unit IV : Solid - Solid interfaces : Surface energy of solids, adhesion and adsorption, sintering and sintering mechanism, Tammann temperature and its importance, surface structure andsurface composition. Reference: 1. Physical chemistry of surfaces: A. W. Adamson. 2. Theory of adsorption and catalysis by Alfred Clark , 3. Chemisorption by B. M. W. Trapnell and H.O. Hayward. 4. Introduction to colloide and surface chemistry by D. J. Shaw. 5. Theories of chemical reaction rates by A. J. K. laidler 6. Surface chemistry by J. J. Bikermann


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CHE-PhD-3 PH 14 CORROSION SCIENCE AND ENERGY ENGINEERING

UNIT – I

Basic aspects of corrosion Importance of corrosion studies – EMF and Galvanic series – Classification of corrosion – theories of corrosion – corrosion kinetics – Pourbaix diagram for Fe – H2O system – passivity – theories of passivity, criteria for selecting metals exhibiting passivity – oxidation of metals – high temperature corrosion. Forms of corrosion – definition, factors and control methods of various forms of corrosion such as pitting, inter granular, dezincification, stress corrosion, crevice corrosion and corrosion fatigue, fretting corrosion, film form corrosion and erosion corrosion.

UNIT – II Environmental aspects and electrolytic factors Atmospheric corrosion – classification, factors influencing atmospheric corrosion – temporary atmospheric corrosion preventive methods. Corrosion in immersed condition – effect of dissolved gases, salts, pH, temperature on the rate of flow of corrosion. Underground corrosion – corrosion process in soil, factors influencing soil corrosion. Biological and marine corrosion – definition, mechanism and control methods.

UNIT – III Energy Conversion Electrochemical energy conversion – thermodynamic reversibility – characteristic and performance criteria – battery terminology Gibb’s equation – EMF – phenomena of polarization, battery terminology – energy density – power density – basic principles and criteria for selection of anodes and cathodes – different types of primary cells and secondary cells – applications of primary and secondary cells – types of electrolytes – aqueous, non-aqueous, molten salt and solid electrolytes.

UNIT-IV Energy storage devices Basic electrochemical reactions and performance characteristics of the following primary systems (1) Laclancy dry cell (2) Metal air cells such as Zinc/air. Iron/air and Aluminium/air. (3) Button cells – Zn – MnO2. Mercuric oxide cells and Lithium cells. (4) Solid electrolyte cells (5) Activated battery – water activated battery such as Mg/AgCl and Mg/CuCl systems, Lead-Acid, Ni-Cd, Ni-Fe, Ni-Metal hydride and lithium – ion batteries – basic electrochemical reactions – charge/discharge characteristics – electrode design and separators – raw material characterizations – components and assembly of cells. Fuel cells Introduction – types of fuel cells, advantages – thermodynamics and efficiencies – electro catalysis of hydrogen oxidation and oxygen reduction – porous electrodes. Types, current – voltage relationship – limiting current density, mercury porosimetry.Various fuel cell systems – alkaline, phosphoric acid, molten carbonate, solid oxide and solid polymer fuel cell systems. Reference: 1. D.Pletcher and F C Walsh, Industrial Electrochemistry, Vol II, Blakrid Academic Professional,

London, 1993. 2. D Jones, Principles and prevention of corrosion Macmillan Publications New York, 1992. 3. J JMeketta, Cathodic Protection Theory and practice, Marcel Dekker Publication, New York, 1993. 4. . S N Banerjee, An introduction to corrosion and corrosion inhibition, Oxonian Press Ltd., New Delhi. 5. L LShrier, Corrosion Vol I & II Goege Nouns Ltd., Southampton Street, London. 6. M G Fonlana& N D Greene, Corrosion Science and Engineering. McGraw Hill Book Co., New York.


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CHE-PhD-4 AN 1

FUNDAMENTALS OF CHEMICAL ANALYSIS

UNIT-I Statistical Treatment of Analytical Data and Sampli ng: Limitations of analytical methods. Classification of errors-systematic errors-sources, effects and their reduction.Random errors-sources and distribution.Accuracy and precision.Measures of central tendency and variability.Reliability of results-confidence interval.Comparision of results-Student’s t-test, comparing the two means and standard deviations-F-test, t-test and paired t-test. Rejection of a result-Q-test.Number of replicate determinations. Control charts. Correlation and regression-correlation coefficient, linear regression, errors in slope and intercept, error in the estimate of concentration. Detection limits, Sampling and sample handling-representative sample, sample storage, sample pretreatment and sample preparation. Hazards in sampling. Quality in analytical laboratories-quality control and quality assurance,accreditation system.

UNIT-II Gravimetric analysis: General principles, stoichiometry, calculation of results from gravimetric data. Properties of precipitates. Nucleation and crystal growth, factors influencing completion of precipitation. Co-precipitation and post-precipitation, purification and washing of precipitates. Precipitation from homogeneous solution, a few common gravimetric determinations-chloride as silver chloride, sulphate as barium sulphate, aluminum as the oxinate and nickel as dimethyl glyoximate. Acid base titrations : Principles of titrimetric analysis, titration curves for strong acid-strong base, weak acid-strong base and weak base-strong acid titrations, poly protic acids, poly equivalent bases, determining the equivalence point-theory of acid base indicators, colour change range of indicator, selection of proper indicator. Applications of acid-base titrations: Determination of nitrogen, sulphur, ammonium salts, nitrates, and nitrites carbonates and bicarbonates, and organic functional groups like carboxylic acid, sulphonic acid, amine, ester, hydroxyl, carboxyl groups, air pollutants like SO2. Acid-base titrations in non-aqueous solvents: Role of solvent in Acid-base titrations, solvent systems, differentiating ability of a solvent, some selected solvents, titrants and standards, titration curves, effect of water, determining the equivalence point, typical applications-determination of carboxylic acids, phenols and amines.

UNIT-III Precipitation titrations: Titration curves, feasibility of precipitation titrations, factors affecting shapetitrant and analyte concentration, completeness of the reaction, titrants and standards, indicators for precipitation titrations involving silver nitrate the Volhard, the Mohr and the Fajan’s methods, typical applications.

Unit-IV Complexometric titrations: Complex formation reactions, stability of complexes, stepwiseformation constants, chelating agents, EDTA-acidic properties, complexes with metal ions, equilibrium calculations involving EDTA, conditional formation constants, derivation of EDTA titration curves, effect of other complexing agents, factors affecting the shape of titration curves-completeness of reaction, indicators for EDTA titrations-theory of common indicators, titration methods employing EDTA-direct, back and displacement titrations, indirect determinations, titration of mixtures,selectivity, masking and demasking agents, typical applications of EDTA titrations-


54

hardness of water, magnesium and aluminium in antacids, magnesium, manganese and zinc in a mixture, titrations involving unidentate ligands-titration of chloride with Hg2+ and cyanide with Ag+. Reference: 1. Fundamental of Analytical Chemistry, D.A. Skoog, D.M. West, Holler and Crouch 8th edition, 2005, Saunders College Publishing, New York. 2. Analytical Chemistry, G.D. Christian, 5th ed., 2001 John Wiley & Sons, Inc, India. 3. Quantitative Analysis, R.A. Day and A.L. Underwood, 6th edition,1993 prentice Hall, Inc. New Delhi. 4. Vogel’s Textbook of Quantitative Chemical Analysis, J. Mendham, R.C. Denney, J.D. Barnes and M.J.K. Thomas, 6th edition, Third Indian Reprint.2003 Pearson Education Pvt. Ltd., New Delhi. 5. Analytical Chemistry Principles, John H. Kennedy, 2nd edition, Saunders College Publishing, California, 1990.


55

CHE-PhD-4 AN 2 2. SEPARATION TECHNIQUES

UNIT-I

Solvent extraction : definition, types, principle and efficiency of extraction, sequence of extractionprocess, factors affecting extraction-pH, oxidation state, modifiers, synergistic, masking and salting outagents, techniques-batch and continuous extraction, applications. Fundamentals of chromatography : General description, definition, terms and parameters used inchromatography, classification of chromatographic methods, criteria for selection of stationary andmobile phase-nature of adsorbents, factors influencing the adsorbents, nature and types of mobilephases and stationary phases. Elution chromatography: Theories-plate theory; rate theory, band broadening-eddy diffusion, longitudinal diffusion and resistance to mass transfer, column efficiency-plate theory and rate theoryapproach, Van Deemter’s equation and its modern version, optimization column performance,interrelationships-capacity factor, selectivity factor, column resolution, distribution constant andapplications of conventional column chromatography, advantages and limitations.

UNIT-II Paper chromatography (PC): Definitions, theory and principle, techniques; one, two-dimensionaland circular PC, mechanism of separation, structure of cellulose and types of paper, methodologypreparationof sample, choice of solvents, location of spots and measurement of RF value, factorsaffecting RF values, advantages and applications. Thin-layer chromatography (TLC) : Definition, mechanism, efficiency of TL plates, methodologyselectionof stationary and mobile phases-preparation of plates, spotting, development, identificationand detection, reproducibility of RF values, comparison of TLC with high performance thin-layerchromatography, paper chromatography and column chromatography. Qualitative and quantitativeanalysis. Gas chromatography (GC): Principle, comparison of GSC and GLC, instrumentation columnspackedand tubular, study of detectors-thermal conductivity, flame ionization, electron capture andmass spectrometry, factors affecting separation, applications.

Unit-III High pressure liquid chromatography (HPLC) : Apparatus, pumps, column packing,characteristics of liquid chromatographic detectors-UV, IR, refractometer and fluorescence detectors,advantages and applications. Ion-exchange chromatography(IEC): Definitions, requirements for ion-exchange resin, synthesisand types of ion-exchange resins, principle, basic features of ion-exchange reactions, resin propertiesion-exchange capacity, resin selectivity and factors affecting the selectivity, applications of IEC inpreparative, purification and recovery processes. Exclusion chromatography : Theory and principle of size exclusion chromatography,experimental techniques for gel-filtration chromatography (GFC) and gel-permeationchromatography (GPC), materials for packing-factors governing column efficiency,methodology and applications.

UNIT-IV Affinity chromatography : Definitions, separation mechanism-matrices, matrix activation, role ofspacer arms and applications.


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Ultracentrifugation : Principle sedimentation constant, sedimentation equilibrium, sedimentationvelocity, methodology and applications. Capillary electrophoresis : Overview, types, the basis for electrphoretic separations, migration ratesand plate heights, electroosmotic flow, instrumentation, capillary zone electrophoresis, capillary gelelectrophoresis, capillary isoelectrophoresis, capillary isoelectric focusing. Capillary electrochromatography : Packed column electrochromatography, micellarelectrokinetic capillary chromatography and applications. Supercritical fluid chromatography : Properties of supercritical fluids, instrumentation and operatingvariables, comparison of supercritical to other types of chromatography, applications.Supercritical fluid extraction: Advantages of supercritical fluid extraction, instrumentation, supercritical fluid choice, off-line and on-line extractions, typical applications of supercritical fluidextraction. Reference: 1. Fundamental of Analytical Chemistry, D.A. Skoog, D.M. West, Holler and Crouch 8th edition, 2005, Saunders College Publishing, New York. 2. Analytical Chemistry, G.D. Christian, 5th ed., 2001 John Wiley & Sons, Inc, India. 3. Quantitative Analysis, R.A. Day and A.L. Underwood, 6th edition,1993 prentice Hall, Inc. New Delhi. 4. Vogel’s Textbook of Quantitative Chemical Analysis, J. Mendham, R.C. Denney, J.D. Barnes and M.J.K. Thomas, 6th edition, Third Inidan Reprint.2003 Pearson Education Pvt. Ltd., New Delhi. 5. Analytical Chemistry Principles, John H. Kennedy, 2nd edition, Saunders College Publishing, California, 1990.


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CHE-PhD-4 AN 3 ADVANCED ANALYTICAL CHEMISTRY.

Unit-I

X-ray & neutron diffraction : a) Fundamentals of x-ray diffraction: X-Ray Fluorescence method:- Principals-Characteristics x-ray emission.Instrumentation x-ray tube, Radioactive sources. Wavelength dispersive instruments.Energy dispersive instruments. Analytical Applications-Qualitative Analysis-Quantitative Analysis, Theory of x-ray diffraction, diffraction of x-rays by crystals, determination of crystal Structure (powder as well as single crystals), Instrumentation, determination of lattice parameters, x-ray intensity calculations and application of x-rays b) Neutron diffraction: Introduction to neutron diffraction, theory, Instrumentation and application.

Unit-II Mossbaur Spectroscopy : Introduction to Mossabaur effect, recoilless emission & absorption of x-rays, Instrumentation, isomer shift, Quadrapole splitting and hyperfine interactions, applicationofMossbaur effect to the investigations of compounds of iron and tin . Hyphenated Techniques:- GC-MS, LC-MS, MS-MS (Tandem) Spectrometry, ICP-MS,

Unit-III Laser Based Techniques : Atomic fluorescent spectrometry (AFS), Resonant ionisation spectroscopy (RIS), Laser enhanced ionization (LEI). Principle – types of transition tunable laser, Classification of medium pumping and controlling mechanisms, Instrumentation detailing of various gaseous, liquid and solid sources, cell, monochromators, detectors. Atomic Emission Spectrometry (AES): Inductively coupled plasma – ICP / AES and Flame emission spectroscopy (FES). Sources – electrical discharge, dc/ac arcs, spark laser microprobe, qualitative and quantitative analysis, problems discussion .

Unit-IV Imaging techniques including MRI : Magnetic resonance imaging (MRI)- principle, instrumentation, magnetic resonance angiography, 1H-nmr of relevant diamagnetic and paramagnetic compounds, contrast agents and clinical applications. Reference Books: 1. Elements of x-ray diffraction, B.DCullity, Addison Wisley, 1967. 2. Diffraction Method, Wormald, Oxford University, Press, 1973 3. Standard Method of Chemical Analysis IIIA6th end. 4. Neutron Scattering in Chemistry, Baun, G.E. Butleworth, London, 1971. 5. Mossbaur Spectroscopy, Greenwood N.N., Gibbs T.C., Chapmann Hall, 1971. 6. Chemical Application of Mossbaur Spectroscopy, Goldanski V.I &Harber R.H., Academic Press 1968. 7. Spectroscopy in Inorganic Compounds CNR Rao& Ferraro G.R., Academic Press,1970. 8. Basic Principles of Spectroscopy Cheney R.Mac Grows Hill, 1971. 9. Thermal Method, Wendlandt, W.W. John, Wiley, 1986. 10. Principles of Instrumental analysis, Skoog, III rdedn., Sounders, 1985/ 11. “MRI : Basic principles and applications”, M. A. Brown, R. C. Semelka (1995).


58

CHE-PhD-4 AN 4

APPLIED ANALYTICAL CHEMISTRY

Unit-I Metal Analysis: Sampling, Analysis of steel and ferrous alloy: Carbon, silicon, manganese, phosphorous, sulphur, selenium, copper, nickel, chromium, vanadium, tungsten, molybdenum, cobalt, aluminium, titanium, nitrogen, lead, niobium, iron. Section A : Surfactants and Detergents: Introduction to different terms, Classification, Representative methods of Analysis. Section B : Soil and fertilizer analysis: Introduction to different terms, Classification, Representative methods of Analysis.

Unit-II Chapter 3:Analysis of Agrochemicals: Introduction, Classification, mechanism of action and synthesis.Insecticides : DDT, BHC,Aldrin, Endosulfon, Malathion, Parathion. Herbicides : 2,4-dichloro phenoxy acetic acid, dalapon, paraquat, Banalin, Butacarb .Fungicides : Boardeaux mixture, Copper oxychloride, Zineb,, Benomyl(Benlte) Analysis of pesticide residue and toxicological effects. A] Chemical toxicology and metal toxicology : highly toxic solids, liquids and gases, biochemical effects of toxic metals on man, mercury, lead, cadmium, arsenic, vanadium, chromium, cobalt, asbestos, carcinogenic compounds poisoning, diagnosis, effects and treatment.

Unit-III Effluent Analysis : Effluent treatment and legislation, characterization of waste water, classification of effluents, waste watwer treatment processes and recycling, analysis of waste water, physical methods of characterization, analysis of organic and inorganic pollutants, automation in effluents analysis. Forensic Analysis: Overview, Destructive and Nondestructive techniques, Data interpretation. Blood Analysis : Blood preservation and ageing effects, Analysis of blood components and exogenic substances, blood stain analysis. DNA Profiling : DNA and its polymorphism, DNA typing procedures-RFLP, PCR, MVR-PCR, Dot-blot, AMP-FLP, STR, other methods, paternity testing, applications, interpretation and practical use.

Unit-IV Determination of alcohol in body fluids : Legal background, Sampling and sample preservation, analysis-GC, IR, enzymatic and other methods. Fingerprint analysis : Latent fingerprints; optical, physical, physico-chemical & chemical detection methods; fingerprints in blood, fingerprint detection sequences. Hair analysis : Structure and composition of hair, morphological examination, Chemical analysis of hair components and components remaining on or in hair. Systematic Drug Identification : Classification and categories of compounds involved, analytical strategy-EMIT, FPIA, TLC, LC, GC-MS, etc., requirements for identification, possibilities & limitations of selected techniques, isotope detection method with numericals, new drug groups. References : 1. „Forensic Chemistry‟ by Suzanne Bell, Pearson Prentice Hall Publishers, 2006 2. Encyclopaedia of Analytical Chemistry, Volume 3, Academic Press, 1995


59

CHE-PhD-4 AN 5 SPECTROSCOPY

Unit-I

Electromagnetic Radiations: Introduction, nature and interaction of electromagnetic radiation, classification of electromagnetic radiation, atomic and molecular transitions, selection rules, factors influencing intensity and position of spectral lines.

Electronic Spectroscopy: Electronic spectra of diatomic and poly atomic molecules, types of transition and their theoretical interpretation. Ligand field and charge transfer spectra, Beer’s law Lambert’s law. Beer-Lambert law, limitations; chromophores, auxochromes, effect of substituents on position and intensity of an absorption band. Instrumentation, effect of solvent and structure on λmax, prediction of λmax for polyenes, α,β-unsaturated Aldehydes and Ketones (Wood Ward-Fieser’s Rules), aromatic systems and their derivatives, application quantitative and qualitative, spectrometric titrations, simultaneous determination of copper and a nickel in a mixture Pka value of an indicator.

Unit-II

IR Spectroscopy: Theory, types and number of modes of vibrations, selection rules, group frequencies and their dependence on chemical environment (bond order, conjugation, hydrogen bonding, ring size, over tones, Fermi resonance, instrumentation, Interpretation of IR, application to structural elucidation of simple molecules, effects of coordination and symmetry of the donor molecules, effects of coordination and symmetry of donor molecules the IR spectra.

Flame Photometry and Atomic Absorption Spectroscopy :

Introduction, Principle, flames and flame spectra vibration of emission intensity with flames, flame back ground, metallic spectra inflame, total consumption and premix burners, interferences, role of temperature on absorption, atomic absorption spectroscopy, sources, hallow cathode lamp, line sources, comparative study of AAS and flame spectroscopy; applications of AAS and Flame photometry.

Luminescence Spectroscopy (Molecular Luminescence):

Introduction, Fluorescence and phosphorescence, excited states, deactivation processes, variable that affect fluorescence and phosphorescence. Relation between intensity and concentration, Instrumentation, Basic difference in the measurement of fluorescence and phosphorescence, general scope of application, comparison of flourimetry and phosphometry, Flourescent indicators, applications; flourimetric analysis of inorganic, organic, pharmaceutical and biological materials; chemilumineacences’s.


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Unit-III

Nuclear Magnetic Resonance (NMR) Spectroscopy: Types of nuclei, (classical and quantum) relaxation process-chemical shifts, mechanism of shielding, factors influencing chemical shifts, spin-spin coupling, rules governing the interpretation of first order spectra, Low and high resolution NMR, Karplus equation, line broadening, chemical exchange, Decoupling techniques, shift reagents, fluxional molecules, nuclear Over Hauser effect, COSY-2D NMR, continuous wave and FT NMR, Magnetic resonance imaging (MRI). Application to structure elucidation of simple organic molecules. Use of NMR in paramagnetic complexes, FTNMR, C13 NMR-basic theory, natural abundance of C13 NMR, chemical shift, multiplicity of signal, applications, NMR of solids.

Unit-IV

Electron Spin Resonance (ESR) Spectroscopy:

Basic principle, interaction between electron spin and magnetic field; Origin of spectral lines; intensity, width and position of spectral lines; Relaxation process; multiplicity in ESR hyper fine splitting; g-value and factors affecting; Rules for interpretation of spectra; zero field splitting and Krammer’s degeneracy, John-Teller’s distortion, isotropic and Anisotropic coupling constants; Nuclear quadrapole coupling interaction; spin Hamiltonian, ESR spectra of radical containing a single set of equivalent protons-methyl, p-benzoquine anion, cyclopentadienyl, benzene, cycloheptatrienyl anions; ESR spectra of transition metal complexes; applications.

Mass Spectrometry:

Introduction, basic theory, instrumentation, mass spectrometer. Methods of generation of positive charged ions, chemical ionization, fast atom bombardment (FAB), mass analyzers resolving power, molecular ion peak, base peak, meta stable peak, modes of fragmentations, McLafferty rearrangement, Retro Diels Alder reaction, ortho effect, structural elucidation of some organic compounds, negative ion mass spectrometry, determination of appearance potential and ionization potential, determination of molecular weight and molecular formulae, application of mass spectrometry in quantitative and qualitative analysis.

Reference:

1. Introduction to Instrumental Analysis – R.D. Braun 1986. 2. Molecular structure and Spectroscopy – G. Aruldas, Prentice Hall India, New Delhi. 3. Principles of Instrumental Analysis, Skoog, Hollar and Niemann, Harcourt Asian Pvt ltd India, New

Delhi, 5th edition 1998. 4. Instrumental method of chemical analysis – B.K. Sharma, Goel publishing House, Meerut 2000. 5. Instrumental method of analysis – Willard, merit and Dean, 7th edition 1998. 6. Organic spectroscopy – William Kemp, 3rd Edition ELBS 1991. 7. Organic spectroscopy – Kalasi, Tata Mc.Graw Hill 1993. 8. Identification of organic compounds, Silerstain, Bessler and Morril. John Wiley and Sons, 5th edition

1991. 9. Element of magneto chemistry – R.I. Duna and Symal, 2nd Edition, Affiliated, East-West press

Pvt.Ltd. 10. Nuclear Nagnetic Resonance, Basic principles, Atta-ur-Rahman, springer – Verleg, New York, Inc.

1986.


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CHE-PhD-4 AN 6

CHEMISTRY IN INDUSTRY

UNIT-I Metal Carbides : Salt-like, covalent and interstitial carbides. Intercalation compounds of graphite,alkali metals. Industrially important reactions of oxides with carbon. Silicone polymers : Introduction, nature of chemical bonds containing silicon, general methods ofpreparation (fluids and resins) and properties of silicones. Applications.Industrial uses of silicon,silicon carbide and silicon dioxide. Mica, Clay and zeolites – Structures and applications. Uses of asbestos.Aluminium alloys-Uses.

UNIT – II Chemical reactivity and group trends of germanium, tin and lead – Applications. Metallic tin andalloys, lead alloys and oxides of lead. Industrial production and uses of ammonia and hydrazine.Sulphides and oxoacids of phosphorous.Applications.Phosphonitrile polymers and phosphazenes. Nitrides of sulphur : (SN)2 and (SN)4 – preparation, properties, structure and applications.

Unit-III

Sulphides of the metallic elements : General considerations, structural chemistry of metal sulphides,sodium-sulphur batteries and dry batteries. Constituent of paints and types of pigments.TiO2 as apigment. Bronze paints. Ceramics : Raw materials used in ceramics and ceramic insulators.

UNIT – IV Compounds of arsenic, antimony and Bismuth : Intermetallic compounds and alloys and their uses. Catalytic applications : Alkene and alkyne complexes. Role of metals in photography and xerography.Monsanto acetic acid process and Monsanto L-Dopa synthesis. Selected examples of magnetic materials, their stru ctures and properties: Metals and alloys.Transition metal oxides, spinels, garnets, ilmenites and perovskites.Magnetoplumbites. Applications: Transformer cores, information storage, permanent magnets. Solid state layers : The ruby laser and neodymium lasers. Reference: 1. Chemistry of the elements – N.N. Greenwood and A. Earnshaw, Pergamon press, 1985 2. Inorganic chemistry – J.E. Huheey. 3. Inorganic polymers – G.R. Chatwal, Himalaya Publishing House, New Delhi. 4. Solid state chemistry and its applications- A.R.West. John Wiley and Sons.


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CHE-PhD-4 AN 7 ENVIRONMENTAL CHEMISTRY

UNIT-I

Air pollution, analysis and control: Historical overview-global implications of air pollution, sources of pollutants, classification of pollutants. Sources and effects of particulates, carbonmonoxide, sulphur oxides, nitrogen oxides, hydrocarbons and photochemical oxidants on human health, vegetation and materials.Standards for air pollutants. Air quality monitoring: Sampling methods and devices for particulates and gaseous pollutants.SO2: ambient air measurements and stack gas measurements-Turbidimetric,colorimetric, conductometric and coulometric methods. NOX: Griess-ilosvay and Jacobs-Hockheiser colorimetric methods, chemiluminiscent technique. CO: NDIR, amperometric, FID and catalytic oxidation methods. Hydrocarbons: total and individual hydrocarbons by gas chromatography. Oxidants and ozone: colorimetric ,coulometric, titrimetric,andchemiluminescence methods.

Unit-II Air Pollution control: Atmospheric cleaning processes, approaches to contaminant control-detection and control at source. Control devices for particulates: Gravitational settlers, centrifugal collectors, wet collectors, electrostatic precipitation and fabric filtration. Control devices for gaseous pollutants: adsorption, absorption ,condensation and combustion processes. Automative emission control-catalytic converters.

UNIT-III Water pollution and analysis: Water resources, origin of wastewater, types of water pollutants of their sources and effects, chemical analysis for water pollution control-objectives of analysis, parameters of analysis, sample collection and preservation. Environmental and public health significance and measurement of colour, turbidity, total solids, acidity, alkalinity, hardness, chloride, residual chlorine, chlorine demand, sulphate, fluoride, phosphates, and different forms of nitrogen in natural and waste/polluted waters, heavy metal pollution-public health significance of Pb, Cd, Cr, Hg, As, Cu, Zn and Mn, general survey of the instrumental techniques for the analysis of heavy metals in aquatic systems, organic loadings-significance and measurement of DO, BOD, COD, TOD, and TOC, phenols, pesticides, surfactants and tannin and, lignin as water pollutants and their determination.

UNIT-IV Waste water treatment : Waste water characteristics, effluentstandards, terminology in waste water treatment. Treatment of domestic waste water-preliminary treatment. Primary treatment : sedimentation, equalization,neutralization. Secondary treatment : aerated lagoons, trickling filters, activated sludge process, oxidation ditch, oxidation pond and anaerobic digestion. Sludge treatment and disposal. Tertiary treatment : evaporation, ion-exchange, adsorption, electrodialysis, electrolytic recovery and reverse osmosis. Advanced waste water treatment : Nutrient removal-nitrogen and phosphorus removal, solids removal. Waste water disposal and re use. Industrial waste water and its treatment. Soil Analysis : Inorganic and organic components of soil, collection and preparation of soil samples for analysis. Measurement of soil pH and conductivity. Determination of organic carbon, total nitrogen, available nitrogen, ammonia nitrogen, nitrate nitrogen and nitrite nitrogen. Available phosphorus and sulphur-their determination.Analysis of soil for sodium, potassium and calcium and


63

magnesium.Micronutrient elements and their analysis.Pesticide residues in soil, their separation and determination. Reference: 1. Standard Methods of chemical Analysis, A.J.Weleher(part B), Robert E.Kriegor Publishing Co.USA, 1975. 2. Environmental chemistry, S.E. Manahan Willard grant press, London, 1983. 3. Environmental chemical Analysis, Iain L Marr and Malcolm S. Cresser, Blackie and Son, ltd, London, 1983. 4. Chemistry for environmental engineering, Chair N. Sawyer and Perry L. M Canty, Mcgraw Hill Book, Co., Newyork 1975. 5. The Air Pollution Hand Book, Richard Mabey, Penguin, 1978. 6. The pollution Hand Book, Richard Mabey, Ponguin 1978. 7. Soil Chemical Analysis, M.L.Jackson, Prentice Hall of India pvt, ltd., New Delhi,1973. 8. Experiments in environmental chemistry,P.D.Vowler, and D.W.Counel, Pergamon press, Oxford 1980. 9. Manual Soil Laboratory Testing-vol I, K.H. Head, Pentech Press, London 1980. 10. A Text Book of Environmental Chemistry and Pollution Control., S.S. Dara, S.Chand and co. Ltd. New Delhi 2004. 11. Air pollution Vol II edn. by A.C. Stern, Academic Press Newyork, 1968. 12. Instrumental Methods for automatic air monitoring systems in Air Pollution Control, Part- III edn by W.Stranss, John-wiley and sons, New york, 1978. 13. Analysis of Air pollutants, P.O.Warner, John Wiley and sons, New York, 1976. 14. The Chemical Analysis Air pollutants, Interscience, New York, 1960. 15. The Analysis of air pollutants, W.Liethe, Ann Arbor Science Pub.Inc. Michigan 1970. 16. Environmental chemistry, A. K. De.


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CHE-PhD-4 AN 8

ADVANCED OPTICAL SPECTROSCOPY

Unit-I

Overview of basic concepts: Light-matter interaction, Einstein coefficients, introduction to lasers, transition dipole moment, selection rules for electronic transitions, Jablonskii diagram, fluorescence and phosphorescence, kinetics of unimolecular and bimolecular processes.

Unit-II

Advanced concepts: Theory of nonradiative transitions, spin-orbit coupling and singlet-triplet transitions, polarized light absorption and emission: fluorescence anisotropy, solvation dynamics, energetics and dynamics of bimolecular processes like excimer and exciplex formation, resonance energy transfer, mechanisms of fluorescence quenching, introduction to non-linear spectroscopy.

Unit-III

Techniques and instrumentation: Uv-Vis spectrophotometry, steady-state fluorimetry, lasers as excitation sources, time-resolved fluorimetry, transient absorption spectroscopy, surface plasmon spectroscopy, evanescent wave spectroscopy, multiphoton spectroscopy, single-molecule spectroscopy, fluorescence correlation spectroscopy.

Unit-IV

Applications: Microscopy (optical, phase-contrast, confocal, FLIM). Applications in biology and analytical chemistry.

Reference:

1. Modern Spectroscopy, J M Hollas, John Wiley & Sons, 4thEdn, 2004 2. Modern Optical Spectroscopy, William W Parson, Springer, Student Edn, 2009 3. Fundamentals of Photochemistry, K KRohatgi-Mukhejee, Wiley Eastern Ltd, 1992 4. Principles of Fluorescence Spectroscopy, J R Lakowicz, Springer, 3rdEdn, 2006 5. Laser Spectroscopy- Basic concepts and instrumentation – W. Demtroder (Springer 3rd

edition, 2004) .


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CHE-PhD-4 AN 9

CHEMISTRY OF THE EARTH’S ATMOSPHERE

Unit-I

Introduction to the Earth’s Atmosphere: Evaluation of the Earth’s atmosphere – Layers of atmosphere – Pressure and Temperature variations – Scaling of atmospheric processes.

Role of Chemical Compounds on Ozone budget:Chemical composition of the Earth’s atmosphere – Compounds containing Sulfur, Nitrogen, Carbon, Halogens – Atmospheric Ozone – Ozone loss – role of the chemical compounds – Atmospheric lifetimes – Theories – Determination of the lifetimes – Laser Induced Fluorescence Studies (LIF measurements) – Cavity Ring Down method; Radicals in the Earth’s atmosphere – Ozone generation – Global warming – Global Warming Potential (GWP) – Ozone Depletion Potential (ODP)

Unit-II

Chemistry of Troposphere and Stratosphere:Troposphere – Chemistry of hydroxyl radicals – Photochemical cycles of NO2, NO and O3 – Chemistry of NOx and carbon monoxide – Methane – Tropospheric reservoir molecules – H2O2, CH3OOH, HONO, PAN, Role of VOC and NOx in the ozone formation – Chemistry of VOCs – sulfur compounds – nitrogen compounds;

Stratosphere – Chapman mechanism – HOx cycle – Halogen cycles – Antarctic ozone hole – Polar stratospheric clouds – Heterogeneous stratospheric chemistry – Global sulfur and carbon cycles – Role of H2O in both troposphere and the stratosphere.

Unit-III

Atmospheric Radiation and Photochemistry:Radiation – Terrestrial and solar radiation – Energy balance for Earth and Atmosphere – Radiative flux – Actinic flux; Photochemistry – Absorption of radiation by atmospheric gases – Absorption by O2 and O3 – Photolysis rate as a function of altitude – Photodissociation of O3, NO2.

Unit-IV

Aerosols and Other Physical Processes: Aerosols – formation – Size distribution – Chemical composition – thermodynamics of aerosols; Nucleation – Classical theory of homogeneous nucleation – Experimental measurement of nucleation rates – heterogeneous nucleation; Wet and dry deposition.

Reference:

1. Atmospheric chemistry and Physics by John H. Seinfeld, Spyros N. Pandis; Second edition, John Wiley, 1997.

2. Introduction to Atmospheric Chemistry by Daniel J. Jacob, Princeton University Press, 1999. 3. Introduction to Atmospheric Chemistry by Peter V. Hobbs, Cambridge University Press, 1st

edition, 2000.


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CHE-PhD-4 AN 10 MEDICINAL CHEMISTRY

Unit -I

Introduction Concept of drug, lead compound and lead modification, prodrugs and soft drugs; Structureactivityrelationship (SAR), quantitative structure-activity relationship (QSAR); Factorsaffecting bioactivity – resonance, inductive effect, isosterism, bio-isosterism, spatialconsiderations; Theories of drug activity – occupancy theory, rate theory, induced fit theoryConcept of drug receptors – elementary treatment of drug-receptor interactions; Physicochemical parameters – lipophilicity, partition coefficient, electronic ionization constants, steric,Shelton and surface activity parameters and redox potentials; Factors affecting modes of drugadministration, absorption, metabolism and elimination; Significance of drug meta-bolism inmedicinal chemistry.

Unit-II Antibiotics Cell wall biosynthesis, inhibitors of β-lactam rings, antibiotics inhibiting protein synthesis;Isolation, structure elucidation, synthesis, SAR and mode of action of penicillins; Synthesis ofpenicillin G, penicillin V, ampicillin, amoxicillin and cephalosporin.Isolation, structure elucidation, synthesis, SAR and mode of action of following antibiotics:streptomycin, tetracyclines and chloroamphanicol.

Unit-III Drug Types - I (a) Antineoplastic drugs: Cancer chemotherapy, role of alkylating agents and antimetabolites in the treatment of cancer; Carcinolytic antibiotics and mitotic inhibitors; Synthesis of mechlorethamine, melphalan, 5-bromouracil and 6-mercaptopurine; Anticancer action of cisplatin and taxol. (b) Cardiovascular drug: Classification, synthesis and mode of action of quinidine, verapamil, methyldopa and buphenine. (c) Hypnotics and sedatives: SAR and mode of action; Synthesis of diazepam, oxazepam, chlorazepam, alprazolam, barbiturates, thiopental sodium. (d) Local anaesthetics: Classification, SAR and mode of action; Synthesis of procaine, α-eucaine and β-eucaine, xylocaine, cinchocaine and quinisocaine.

Unit-IV Drug Types - II (a) Antiinfective drugs: Mode of action and synthesis of sulphonamides, furazolidone, ciprofloxacin, norfloxacin, daspone, isoniazide. (b) Antipyretic Analgesics: Classification and mode of action of antipyretic analgesics; Synthesis of paracetamol, chincophan, Novalgin and mefenamic acid. (c) Antihistamines: SAR and mode of action of H1-receptor antagonists; Synthesis of bromazine, mepyramine, methapyriline, antazoline, promethazine and phenindamine. (d) Antimalarial drug: Nitrogen heterocycles as antimalarial agents, their classification and mode of action, synthesis of chloroquine, pamaquine, primaquine, Mepacrine and pyrimethamine. Introductory idea on Artemisinin, artemether and arteether.

Reference:

1. Burger. Medicinal Chemistry and Drug Discovery, Vol-1, Ed. M. E. Wolff, John Wiley (1994). 2. Goodman & Gilman. Pharmacological Basis of Therapeutics, McGraw-HilI (2005). 3. S. S. Pandeya& J. R. Dimmock.Introduction to Drug Design, New Age International.(2000). 4. D. Lednicer. Strategies for Organic Drug Synthesis and Design, John Wiley (1998). 5. Graham & Patrick. Introduction to Medicinal Chemistry (3rd edn.), OUP (2005).


67

CHE-PhD-4 AN 11 FOOD CHEMISTRY

Unit-I :

Classification, Chemical composition and nutritional value ofcommon food stuffs, properties of foodsFood preservation and processing: Food deterioration, methods ofpreservation and processing by heat, cold, chill storage, deep freezing,drying, concentration, fermentation and radiation.Food quality: Sensory evaluation, objective methods, non-nutritionalconstituents and food safety.

Unit-II : Permitted food additives and their role: Antioxidants, colouringagents, flavours, emulsifiérs, curating agents, non-nutritivesweeteners, flour improvers, leavening agents, stabilizers, thickeners' and preservatives.

Unit-III : Pigments and colours (brief study): Chlorophylls, myoglobin andhaemoglobin, anthocyanins, flavonoids, tannins, betalains, quinones,xanthones, carotenoids.Unit-IV : Vitamins: Classification, ftmctions requirements, distribution infoods, loss during processing, effects of deficiency and characteristicproperties of vitamins - Bi( Thiamine), B2(Riboflavin),B3 (Pantothenic acid ),Be (pyridoxine),B12 ( Cyanocobalamine),H(Biotin), P( Rutin ) C( ascorbic acid ) A( Retinol) D (Calciferol),E ( Tocopherol) K( naphthoquinone), Folic acid (PGA) and Niacin.

Unit-IV Carbohydrates: Classification, reactions of simple sugars; Oxidation, reduction, condensation with phenyl hydrazine, action of alkalies, action of acids, formation of esters, formation of coloured products. Function of sugars in foods - Browning reaction(non-enzymic). Polysaccharides: Brief study of the chemistry - starch dextrin, glycogen, cellulose, hemicellulose, pectic substances, gums. sweetness of sugars, relation of structure to sweetness. Carbohydrate metabolism: Interconversion of hexoses in liver, ' .anaerobic metabolism of glucose , krebs citric acid cycle, glyoxalate cycle, pentose phosphate path way. Reference:

1. Food Chemistry by L.W. Aurand and A.E. woods the AVI Publising Inc. 2. Food Chemistry by L.H. Meyer, Affliated East- West press Ltd, New Delhi. 3. Foods- Facts and principles by N. ShakuntalaManay, M. ShdaksharaSwamy. 4. Principles of Food Chemistry by John M. deMan. 5. Principles of Food Science, Part I,Food Chemistry edited by Owen R. 6. Fennama ,Mareal Dekker, Inc., New York. 7. Hand book of Food and Nutrition by M. Swaminathan .


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CHE-PhD-4 AN 12

POLYMER CHEMISTRY

Unit-I

Introduction: Monomers, repeat units, degree of Polymerization, Linear , branched and network

Polymers.Condensation Polymerization :Mechanism of stepwise polymerisation .Kinetics and statistics of

linear stepwise polymerization.Addition polymerization :Free radical , cationic and anionic polymerization.

Polymerization conditions.Polymerization in homogeneous and heterogeneous systems.

Unit- II:

Polymerization: Kinetics, mono and bimetallic mechanism of co-ordination polymers.. Co-Polymerization : Block and graft co-polymers, Kinetics of copolymerization. Types of co-polymerization.Evaluation of monomer.Reactivity ratio.Rate of Co-Polymerization.

Unit- III:

Molecular Weight and Properitie:Polydispersion – average molecular weight concept, number ,weight and viscosity average molecular weights. Measurement of molecular weights.Gel permeation chromatography, viscosity, light scattering, osmotic and ultracentrifugation methods. Polymer structure and physical properities – crystalline melting point Tm .The glass transition temperature. Determination of Tg. Relationship between Tm

andTg .

UNIT IV

Polymer Processin: Plastics, elastomers and fibres. Compounding processing techniques :calendering, die casting , rotational casting, film casting , injection moulding, blow moulding extrusion moulding, thermoforming, foaming , reinforcing and fibre spinning.

Properties of Commercial Polymers: Polyethylene, polyvinyl chloride, polyamides, polyesters, phenolic resins, epoxy resins and silicone polymers. Functional polymers – Fire retarding polymers and electrically conducting polymers. Biomedical polymers – contact lens, dental polymers, artificial heart, kidney, skin and blood cells.

SpecialityPolymers :Solid Polymer electrolytes (SPE). Block copolymers. Polymer colloids.Inter-penetrating network (IPN) polymers. Biomedical polymers

Reference:

1. F.W. Billmeyer, Jr., Text Book of Polymer Science, 3rd

edition (1984), Wiley-Interscience, New York.

2. G. Odien, Principles of Polymerization, 3rd

edition (1991) John Wiley & Sons, Singapore. 3. P. Bahadur and N.V. Sastry, Principles of Polymer Science, (2002) Narosa, New Delhi.


69

CHE-PhD-4 AN 13

CHEMICAL ANALYSIS IN AGRO, FOOD AND PHARMACEUTICAL INDUSTRIES.

Unit – I

Analysis of soil, Fuel, Body Fluids and Drugs Analysis of soil: Moister, pH, total nitrogen, phosphorous, silica, lime, Magnesia, Manganese, sulfur & alkali salts. Food analysis: Solid, liquid and Gas , ultimate and proximate analysis heating values , grading of cool , liquid fuels , flasks points , aniline point , octane number and carbon residue , gaseous fuels – producer gas and water gas – calorific value.

UNIT-II Clinical Chemistry: Composition of blood collection, and preparation of samples, clinical analysis – serum electrolytes, blood glucose, blood urea nitrogen , uric acid , albumin , globulin , barbiturates , acidic and alkaline phosphates , Immunoassay , principals of radiimmunoassry, , and applications . The blood gas analysis – trace elements in the body.Drug analysis: Narcotics and dangerous drugs, classification of drugs, screening by gas m thin layer chromatography and spectrophotometric analysis.

Unit – III: Food analysis :Moister, ash, crude protein, fat, crud fiber, carbohydrate, calcium, potassium, sodium, and phosphates, food adulteration – common adulteration in food, contamination of food stuffs, microscopic examination of foods for adulterants, Pesticide analysis in food products, Bxdraction and purification of sample, HPLC, gas chromatography for organo – phosphates, thin layer chromatography for identification of chlorinated pesticides in food products

Unit –IV: Fluorescence in Biological, Medical and Drug Development Fluorescence instrumentation for analysis, flurophare and their modification , pH –indicators , membrane potential probes , lipid membrane protein labeling of protein and DNA. Reference: 1. Fundamentals of analytical chemistry by D. A. Skuog , D. M. West and F. J. Honer, W. B. Saunders. 2. Chromic phenomenon , The Technological application of color chemistry Peter Bamfield .


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CHE-PhD-4 AN 14 ADVANCED NANO TECHNOLOGY

Unit-I

Introduction to Nanoscience Introduction to Nanoscience; History and Scope, Interdisciplinary nature, Structure of nanomaterials,Length scales – de Broglie wavelength &exciton Bohr radius, jellium model, Quantum wells, quantum wires,quantum dots, fullerenes, graphite, carbon nanotubes, inorganic nanowires, nanoparticles, core-shellnanoparticles. Applications to Nanoelectromechanical systems (NEMS), Nano-optoelectronic materials anddevices, medicine and pharmacology applications, thin-films, nanoscale devices – Transistors, FETs,quantum dots lasers and others.One Dimensional Nano-structures, Nano wires and nano rods, Spontaneous growth: Evaporation and condensation growth, vapor-liquid-solid growth, stress induced recrystallization. Template based synthesis: Electrochemical deposition, Electro-phoretic deposition. Electrospinning and Lithography. Two dimensional nano-structures, Fundamentals of film growth. Physical vapourDepostion(PVD): Ebvaporation molecular beam epitaxy (MBE), Sputtering, Comparison of Evaporation and sputtering. Chemical Vapour Deposition (CVD): Typical chemical reactions, Reaction kinetics, transportant phenomena, CVD methods, diamond films by CVD

Unit-II Nanomaterials and composites Introduction, Nylon 6-clay hybrid (NCH) - Synthesis, Characterization; Epoxy nanocomposites, Epoxylayered silicate nanocomposites, Epoxy-nanocomposites based on other nanofillers, Ternary epoxy nanocomposite systems, Biodegradable polymer/layered silicate nanocomposites, Polymer/layered silicate nanocomposite technology, structure-property relationships, olypropylene layered silicate nanocomposites, Polystyrene/clay nanocomposites, Organically modified clay, polystyrene/clay nanocomposite, Poly(ethyl acrylate)/bentonitenanocomposites, Nanocomposites based on water soluble polymers, Rubber-clay nanocomposites, Flammability and thermal stability of nanocomposites, Barrier properties of nanocomposites, Nanotubes, nanoparticles and inorganic-organic hybrid systems, Single-walled carbon nanotubes in epoxy, Fullerene/carbon nanotube (CNT) composites, Filled polymer nanocomposites containing functionalized nanoparticles, Magnetic polymer nanocomposites, Polymer/graphite nanocomposites, Wear resisting polymer nanocomposites.

Unit-III Nanomagnetic Materials Basics of ferromagnetism, Effect of bulk structuring of Magnetic properties, Dynamics of Nanomagnets,Nanopore containment of magnetic properties, Nanocarbonferromagnets, Giant Magnetoresistance, Colossal magnetoresistance, Applications in data storage, Feerofluids, Band structure in magnetic fields,Parallel and perpendicular field, Magnetic susceptibilities, Disorder–order transformations, Superparamagnetism, Effect of grain-size, Magneto-transport, Fermi’s golden rule and mean free path, Ballistic vs. diffusive regimes, Persistent currents, Magnetization, Ferroelectrics, Electronic Properties and Quantum Effects, Magneto-electronics:Magnetism and Magnetotransport in Layered Structures, Magnetooptics.


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Thin films, Atomic layer deposition (ALD), Electrochemical deposition (ECD), Sol-Gel films. Special Nano Materials, Carbon fullerence and nano tubes: carbon fullerness ,formation, properties and applications. Carbon nano tubes: formation and applications

Unit-IV Surface Science with Nanomaterials: Scanning-tunnelling microscopy, atomic-force microscopy, magnetic-force microscopy (MFM), scanning near-field optical microscopy (SNOM), etc. Important technical aspects: electronics, vibration-isolation, actuators and motors for nanodisplacements, etc. Applications: microscopy, spectroscopy, tribology and atomic manipulation. Nanotribology and Nanomechanics, AFM/FFM and Various Measurement Techniques, Friction and Adhesion, Friction Force Microscopy in Ultra-High Vacuum, The Tomlinson Model, Thermal Effects on Atomic Friction, Wear on the Atomic Scale, Molecular Dynamics Simulations of Atomic Friction and Wear, Surface Forces and Nanorheology, Types of Surface Forces, Methods Used to StudySurface Forces, Normal Forces Between Dry (Unlubricated) Surfaces, Normal Forces Between Surfaces in Liquids, Adhesion and Capillary Forces, Self-Assembled Monolayers. Reference: 1. Nanomaterials – AK Bandyopadhyay, Newage International (p) limited publishers. 2. Nanomaterials- J Dutta and H Hofmann 3. Nanostructured materials processing, properties and applications- Carl C Koch, Jaico publishing house. 4. Nanotechnology- William Illsey Atkinson, Jaico publishing house.

course work for chemistry phd

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