Spectroscopy in a Suitcase – UK & Ireland curricula – Feb 2017

This document outlines mentions of spectroscopy on curricula across the UK & Ireland. Weblinks to the full content have been included to access broader information, for example related maths/practical skills that have not been highlighted.

Contents:Quick look-up table: pg 2England AQA pg 4

Edexcel pg 6OCR pg 8

OCR -Salters pg 11BTEC level 3 pg 13

BTEC level 4/5 pg 14 N.Ireland CCEA pg 16Wales WJEC pg 17Scotland SQA pg 18Republic of Ireland pg 21

Quick look-up table

Exam board MS IR UV-vis NMR

A level - AQA AS- Time of Flight MS- Fragmentation not covered- Interpret and predict mass spectra- Use data to calculate atomic mass and determine molecular formula

AS - Use IR spectra to identify bonds /functional groups

- A level only- 1H NMR and 13C NMR, inc. interpret data- use the n+1 rule - understand use of TMS

A level – Edexcel AS- Fragmentation is covered

- Interpret and predict mass spectra - Use data to determine the relative molecular mass of a molecule

AS- Use IR spectra to deduce functional groups and predict IR absorptions

- A level only-- 1 H NMR and 13C NMR, inc. interpret data- inc. the n+1 rule

A level – OCR AS- Use mass spectra to determine molecular mass- Analysis of fragmentation peaks

AS-Understanding of energy absorption and link to global warming- Use IR spectra to identify bonds

- A level only- 1 H NMR and 13C NMR, inc. interpret data- inc. the n+1 rule- understand use of TMS

A level – OCR B (Salters)

AS- Interpret mass spectra- understand use of MS to identify drugsA level-Further interpretation and prediction of MS

AS- IR at AS only includes hydroxyl, carbonyl and carboxylic acid groups.

- A level- Proton and carbon-13 NMR inc. n+1

BTEC level 3

-Beer-lambert law to determine concentration of transition metal ion solutions

BTEC level 4/5

Level 4- Determine molecular structures using MS dataLevel 5- Analyse and interpret

Level 4- Understand spectroscopic methods that use electromagnetic wavesLevel 5- Analyse and interpret

Level 4- Understand spectroscopic methods that use electromagnetic wavesLevel 5- Analyse and interpret

Level 4- Explain the operation of an imaging device that uses NMR

A level - CCEA AS- Interpret and predict mass spectra- Fragmentation

AS- Understand absorption- Use spectra to deduce functional groups

- A level- Understand difference between low res and high res- Use of TMS- Interpret spectra, inc. n+1

A level –WJEC - Understand principles of MS and determine relative atomic mass and relative abundance of isotopes-Interpret simple mass spectra and identify simple structures

- Use of IR in identification of chemical structures

- -13c and low res 1H NMR - High res 1H NMR- Interpret and analyse spectra

Advanced Higher chemistry – SQA

- Interpretation of fragmentation data

- Interpretation of spectra to gain structural information

- Understand UV-Vis involves transitions between electron energy levels

- Interpretation of 1H NMR spectra- Understand how a proton NMR is produced- Draw and analyse low res proton NMR - Analyse high res proton NMR

Irish Leaving Certificate

Ordinary-Use of MS in determining relative atomic mass- Interpretation of spectra not requiredHigher- Fundamental processes in a mass spectrometer- Need to be able to reproduce a diagram of mass spectrometer

Higher- Principles of use- Examples of use

Higher- Principles of use- Examples of use

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England

Qualification: A levels Year groups: Year 12 – AS level (MS and IR) Year 13 – A2 level (NMR) Exam boards : AQA/Edexcel/OCR

AQA(From September 2015)

Link to content: http://filestore.aqa.org.uk/resources/chemistry/specifications/AQA-7404-7405-SP-2015.PDF

Mass spectrometry content

Students should know: • The principles of a simple time of flight (TOF) mass spectrometer, limited to ionisation, acceleration to give all ions constant kinetic energy, ion drift, ion detection, data analysis. N.B. Students are not expected to know about fragmentation. • The mass spectrometer gives accurate information about relative isotopic mass and also about the relative abundance of isotopes. • Mass spectrometry can be used to identify elements. • MS can be used to determine the molecular formula of a compound. • Mass spectrometry can be used to determine relative molecular mass.

Students should be able to: • Interpret simple mass spectra of elements • Calculate relative atomic mass from isotopic abundance, limited to mononuclear ions.• Use precise atomic masses and the precise molecular mass to determine the molecular formula of a compound.

N.B Also content linked to empirical formula

Infrared spectroscopyStudents should know: • Bonds in a molecule absorb infrared radiation at characteristic wavenumbers. ‘Fingerprinting’ allows identification of a molecule by comparison of spectra. • The link between absorption of infrared radiation by bonds in CO2 , methane and water vapour and global warming

Students should be able to: • use infrared spectra and the Chemistry Data Sheet or Booklet to identify particular bonds, and therefore functional groups, and also to identify impurities.

Nuclear magnetic resonance spectroscopy (A-level only) Students should: • Know that chemists use a variety of techniques to deduce the structure of compounds. In this section, nuclear magnetic resonance spectroscopy is added to mass spectrometry and infrared

spectroscopy as an analytical technique. The emphasis is on the use of analytical data to solve problems rather than on spectroscopic theory. • Have an appreciation that scientists have developed a range of analytical techniques which together enable the structures of new compounds to be confirmed. • Nuclear magnetic resonance (NMR) gives information about the position of 13C or 1 H atoms in a molecule. 13C NMR gives simpler spectra than 1 H NMR. • The use of the δ scale for recording chemical shift. Chemical shift depends on the molecular environment.• Integrated spectra indicate the relative numbers of 1 H atoms in different environments. 1 H NMR spectra are obtained using samples dissolved in deuterated solvents or CCl4 The use of tetramethylsilane (TMS) as a standard.

Students should be able to: • explain why TMS is a suitable substance to use as a standard • use 1 H NMR and 13C NMR spectra and chemical shift data from the Chemistry Data Booklet to suggest possible structures or part structures for molecules • use integration data from 1 H NMR spectra to determine the relative numbers of equivalent protons in the molecule • use the n+1 rule to deduce the spin–spin splitting patterns of adjacent, non-equivalent protons, limited to doublet, triplet and quartet formation in aliphatic compounds.

Chromatography (A level only)Students should know (for full list, follow weblink): The use of mass spectrometry to analyse the components separated by GC.

Edexcel(from September 2015)

AS specification: https://qualifications.pearson.com/content/dam/pdf/A%20Level/Chemistry/2015/Specification%20and%20sample%20assessments/AS_Chemistry_2015_Specification.pdf

A level (inc. AS) specification: https://qualifications.pearson.com/content/dam/pdf/A%20Level/Chemistry/2015/Specification%20and%20sample%20assessments/A_level_Chemistry_2015_Specification.pdf

Mass Spectrometry

Students should:• be able to analyse and interpret data from mass spectrometry to calculate relative atomic mass from relative abundance of isotopes and vice versa• be able to predict the mass spectra, including relative peak heights, for diatomic molecules, including chlorine• understand how mass spectrometry can be used to determine the relative molecular mass of a molecule Limited to the m/z value for the molecular ion, M+, giving the relative molecular mass of the molecule.• be able to use data from a mass spectrometer toi) determine the relative molecular mass of an organic compound from the molecular ion peakii) suggest possible structures of a simple organic compound from the m/z of the molecular ion and fragmentation patterns

Infrared (IR) spectroscopy

Students should:• be able to use data from infrared spectra to deduce functional groups present in organic compounds and to predict infrared absorptions, given wavenumber data, due to familiar functional groups, including: i) C–H stretching absorption in alkanes, alkenes and aldehydesii) C=C stretching absorption in alkenes iii) O–H stretching absorption in alcohols iv) C=O stretching absorption in aldehydes and ketonesv) C=O stretching absorption and the broad O-H stretching absorption in carboxylic acids vi) N–H stretching absorption in amines

N.B. SIAS may support - CORE PRACTICAL 7: Analysis of some inorganic and organic unknowns

A level overviewStudents should be able to deduce the empirical formulae, molecular formulae and structural formulae of compounds from data obtained from combustion analysis, elemental percentage composition, characteristic reactions of functional groups, infrared spectra, mass spectra and nuclear magnetic resonance

Nuclear magnetic resonance (NMR) (A level only):Students should:• understand that 13C NMR spectroscopy provides information about the positions of 13C atoms in

a molecule • be able to use data from 13C NMR spectroscopy to: i) predict the different environments for carbon atoms present in a molecule, given values of chemical shift, δ ii) justify the number of peaks present in a 13C NMR spectrum because of carbon atoms in different environments •understand that high resolution proton NMR provides information about the positions of 1 H atoms in a molecule • be able to use data from high resolution 1 H NMR spectroscopy to: i) predict the different types of proton present in a molecule, given values of chemical shift, δ ii) relate relative peak areas, or ratio numbers of protons, to the relative numbers of 1 H atoms in different environments iii) deduce the splitting patterns of adjacent, non-equivalent protons using the (n+1) rule and hence suggest the possible structures for a molecule iv) predict the chemical shifts and splitting patterns of the 1 H atoms in a given molecule

Chromatography (A level only):Students should know that high performance liquid chromatography, HPLC, and gas chromatography, GC may be used in conjunction with mass spectrometry, in applications such as forensics or drugs testing in sport

OCR – Chemistry A (From September 2015)

AS specification - http://www.ocr.org.uk/Images/171750-specification-accredited-as-level-gce-chemistry-a-h032.pdf

A level (inc. AS) specification - http://www.ocr.org.uk/Images/171720-specification-accredited-a-level-gce-chemistry-a-h432.pdf

Mass spectrometry:Learners should be able to demonstrate and apply their knowledge and understanding of:• the determination of relative isotopic masses and relative abundances of the isotope • calculation of the relative atomic mass of an element from the relative abundances of its isotopes• use of a mass spectrum of an organic compound to identify the molecular ion peak and hence to determine molecular mass N.B. Limited to ions with single charges. Mass spectra limited to organic compounds containing C, H and O encountered in this specification. Learners should be aware that mass spectra may contain a small M+1 peak from the small proportion of carbon-13. HSW3,5 Analysis and interpretation of spectra• analysis of fragmentation peaks in a mass spectrum to identify parts of structures Learners should be able to suggest the structures of fragment ions. Analysis and interpretation of spectra. Combined techniques(h) deduction of the structures of organic compounds from different analytical data including: (i) elemental analysis (ii) mass spectra (iii) IR spectra. Limited to functional groups encountered in this specification. Learners will not be expected to interpret mass spectra of organic halogen compounds. Analysis and interpretation of different analytical data

Infrared spectroscopy and mass spectrometry are used to illustrate instrumental analysis as a valuable tool for identifying organic compounds.

Infrared spectroscopy:Learners should be able to demonstrate and apply their knowledge and understanding of:• infrared (IR) radiation causes covalent bonds to vibrate more and absorb energy • absorption of infrared radiation by atmospheric gases containing C=O, O–H and C–H bonds (e.g. H2O, CO2 and CH4), the suspected link to global warming and resulting changes to energy usage (Acceptance of scientific evidence explaining global warming has prompted governments towards policies to use renewable energy supplies)• use of an infrared spectrum of an organic compound to identify: (i) an alcohol from an absorption peak of the O–H bond (ii) an aldehyde or ketone from an absorption peak of the C=O bond (iii) a carboxylic acid from an absorption peak of the C=O bond and a broad absorption peak of the O–H bond N.B. In examinations, infrared absorption data will be provided on the Data Sheet. Learners should be aware that most organic compounds produce a peak at approximately 3000 cm–1 due to absorption

by C–H bonds(d) interpretations and predictions of an infrared spectrum of familiar or unfamiliar substances using supplied data N.B.Restricted to functional groups studied in this specification. Analysis and interpretation of spectra(e) use of infrared spectroscopy to monitor gases causing air pollution (e.g. CO and NO from car emissions) and in modern breathalysers to measure ethanol in the breath N.B. Use of analytical techniques to provide evidence for law courts, e.g. drink driving

A level overview: How analytical techniques introduced in AS (infrared spectroscopy, mass spectrometry and elemental analysis) may be used in combination with NMR spectroscopy to provide evidence of structural features in molecules.

NMR Spectroscopy (A level only)Learners should be able to demonstrate and apply their knowledge and understanding of: • analysis of a carbon-13 NMR spectrum of an organic molecule to make predictions about: (i) the number of carbon environments in the molecule (ii) the different types of carbon environment present, from chemical shift values (iii) possible structures for the molecule N.B. All carbon-13 NMR spectra that are assessed will be proton decoupled. In examinations, NMR chemical shift values will be provided on the Data Sheet. Restricted to functional groups studied in the A level specification. Interpretation of spectra to analyse organic compounds.• analysis of a high resolution proton NMR spectrum of an organic molecule to make predictions about: (i) the number of proton environments in the molecule (ii) the different types of proton environment present, from chemical shift values (iii) the relative numbers of each type of proton present from relative peak areas, using integration traces or ratio numbers, when required (iv) the number of non-equivalent protons adjacent to a given proton from the spin– spin splitting pattern, using the n + 1 rule (v) possible structures for the molecule N.B. In examinations, NMR chemical shift values will be provided on the Data Sheet. Restricted to functional groups studied in the A level specification. Learners will be expected to identify aromatic protons from chemical shift values but will not be expected to analyse their splitting patterns. Interpretation of spectra to analyse organic compounds.• prediction of a carbon-13 or proton NMR spectrum for a given molecule • (i) the use of tetramethylsilane, TMS, as the standard for chemical shift measurements (ii) the need for deuterated solvents, e.g. CDCl 3, when running an NMR spectrum (iii) the identification of O–H and N–H protons by proton exchange using D2O

Combined techniques • deduction of the structures of organic compounds from different analytical data including: (i) elemental analysis (ii) mass spectra (iii) IR spectra (iv) NMR spectraN.B. Spectral reference data will be provided on the Data Sheet. Restricted to functional groups

studied in the A level specification. Learners will not be expected to interpret mass spectra of organic halogen compounds. Interpretation of a variety of different evidence to analyse organic compounds.

OCR – Chemistry B (Salters): from September 2015

AS specification - http://www.ocr.org.uk/Images/171754-specification-accredited-as-level-gce-chemistry-b-salters-h033.pdfA level (inc. AS) specification - http://www.ocr.org.uk/Images/171723-specification-accredited-a-level-gce-chemistry-b-salters-h433.pdf

Elements of lifeThe Big Bang theory is used to introduce the question of where the elements come from. This leads to discussion of the concepts of atomic structure, nuclear fusion, and the use of mass spectrometry to determine the relative abundance of isotopes.

Modern analytical techniques: use of data from a mass spectrum to determine relative abundance of isotopes and calculate the relative atomic mass of an element.

What’s in a medicine? A consideration of medicines from nature focuses on aspirin. The chemistry of the –OH group is introduced through reactions of salicin and salicylic acid, beginning with alcohols and continuing with phenols. The discussion of chemical tests for alcohols and phenols leads to the introduction of IR and mass spectrometry as more powerful methods for identifying substances.

Modern analytical techniques:• interpretation and prediction of mass spectra: • the M+ peak and the molecular mass • that other peaks are due to positive ions from fragments • the M+1 peak being caused by the presence of 13C N.B. Calculations based on M+1 peak will not be required• the effect of specific frequencies of infrared radiation making specific bonds in organic molecules vibrate (more); interpretation and prediction of infrared spectra for organic compounds, in terms of the functional group(s) present.N.B. IR absorptions will be given on the Data Sheet. For AS, questions will only involve hydroxyl, carbonyl and carboxylic acid groups.

A level overview: Aspirin is revisited as the context for a more detailed discussion of mass spectrometry, as well as introduction of proton and carbon-13 NMR and the use of combined techniques in structural analysis.

Modern analytical techniques (A level only):• the further interpretation and prediction of mass spectra • use of the high-resolution value of the M+ peak to work out a molecular formula • the mass differences between peaks indicating the loss of groups of atoms • proton and carbon-13 nuclear magnetic resonance (NMR) spectra for the determination of molecular structure Including splitting patterns up to quartets for proton NMR using the ‘n + 1’ rule; further explanation of splitting not required. All carbon-13 NMR spectra that are assessed will be proton decoupled• the combination of spectroscopic techniques (mass spectrometry, IR and NMR) to determine the structure of organic molecules

• the general principles of gas–liquid chromatography:• sample injected into inert carrier gas stream • column consisting of high boiling liquid on porous support • detection of the emerging compounds (sometimes involving mass spectrometry) • distinguishing compounds by their retention times.

Qualification: BTEC Level 3Year groups: Years 9-11 (depending on the school)Applied Science: From September 2016

Course specification - http://qualifications.pearson.com/content/dam/pdf/BTEC-Nationals/Applied-science/2016/specification-and-sample-assessments/9781446938157_BTECNat_AppSci_Cert_Spec_Iss2C.pdf

Relevant course content:Colorimetry - Understanding and practical application of colorimetry techniques. • Selection and use of a colorimeter or visible spectrometer – selection of filter (colorimeter) or fixed wavelength (spectrometer). • Measurement and use of absorbance readings. • Use of Beer-Lambert law to determine the concentration of a transition metal ion solution. • Accurate dilution of stock solutions to prepare a range of calibration standards with absorbance in the range 0 to 1. • Use of blank solutions. • Calibration plot. • Determination of unknown solution concentration from reading from graph (graph paper) or from the equation of a linear trend line through the origin (Microsoft Excel).

N.B With the technical emphasis of this course, it’s likely teachers may also suggest skills which can be used/developed through SIAS.

Qualification: BTEC Level 4 (certificate) & 5 (diploma) - Higher Nationals in Applied ChemistryYear groups: Years 12-13 Applied Science: From September 2016

Course specification - http://qualifications.pearson.com/content/dam/pdf/BTEC-Nationals/Applied-science/2016/specification-and-sample-assessments/9781446938157_BTECNat_AppSci_Cert_Spec_Iss2C.pdf

Summary of units containing relevant content

Unit 4. Chemical Laboratory Techniques (level 4)

Be able to use spectroscopic techniques• prepare and calibrate instruments for use following given guidelines • perform analyses using spectroscopic techniques to an appropriate degree of accuracy, using safe practices • explain the principles behind the techniques used • report on the analyses

Unit 18. Atomic and Nuclear Physics for Spectroscopic Applications (level 4)

Understand spectroscopic methods that use electromagnetic waves. • compare the optical spectra of elements to their electronic structure• evaluate the lattice structure of a specific metal using high energy spectroscopy• discuss the molecular structure and vibrational modes of an organic compound with reference to infrared spectra

Understand matter analysis methods that use charged particles. • explain the effects of electromagnetic fields on charged particles • explain the operation and applications of electron microscopy • determine the molecular structure of compound using data gathered via mass spectroscopy

Understand spectroscopic methods that use the nucleus of an atom.• explain the nuclear structure of an atom • compare the use of neutron spectroscopy in matter analysis against electromagnetic wave forms of spectroscopy • explain the operation of an imaging device that uses nuclear magnetic resonance

Unit 11. Physical Chemistry of Spectroscopy, Surfaces and Chemical and Phase Equilibria (level 5)

Understand the origins and applications of molecular spectroscopy • examine the relationship between spectroscopic techniques and electromagnetic radiation • review theoretical models used in spectroscopy • explain the applications of practical spectroscopic techniques

Unit 12. Analytical Chemistry (level 5)

Be able to apply spectroscopictechniques of analysis• use spectroscopic techniques to analyse samples and interpret results• select combined techniques to elucidate proposed structures• calculate results using appropriate mathematical/statistical methods to process results• identify errors in the methods used and determine the confidence limits of the final result• report the results of analyses appropriately

Unit 24. Nuclear Chemistry (level 5)

Understand the use of isotopes in chemistry and medicine • explain the application of isotopes in spectroscopy • explain the application of isotopes in chemical reactions and analysis • discuss the applications of radioisotopes to medicine

Northern Ireland Qualification: A levels

Year groups: Year 13 – AS level MS & IR Year 14 – A2 level NMR Exam boards : CCEA (most popular)/ WJEC (see Wales)

CCEA - From September 2016 http://www.rewardinglearning.org.uk/microsites/chemistry/revised_gce/specification/index.asp

Atomic structure Students should be able to:• interpret mass spectra of elements by calculating relative atomic mass from isotopic abundances and vice versa• predict the mass spectra of diatomic elements, for example chlorine;

Infrared spectroscopy Students should be able to:• explain that the absorption of infrared radiation arises from molecular vibrations; • demonstrate understanding that groups of atoms within a molecule absorb infrared radiation at characteristic frequencies; • use infrared spectra to deduce functional groups present in organic compounds given wavenumber data.

Mass spectrometry (A level only)Students should be able to: • recall the meaning of and identify the base peak, molecular ion peak, M+1 peak and fragmentation ions in a mass spectrum• suggest formulae for the fragment ions in a given mass spectrum • distinguish between molecules of the same relative molecular mass (RMM)/mass using high resolution mass spectrometry

Nuclear magnetic resonance spectroscopy (A level only)Students should be able to: • demonstrate understanding of the difference between low resolution and high resolution nmr spectra; • demonstrate understanding of the reasons for using TMS (tetramethylsilane) as a standard• demonstrate recognition of chemically equivalent hydrogen atoms; • demonstrate understanding that chemical shifts depend on the chemical environment of hydrogen atoms; • use integration curves to determine the relative number of hydrogen atoms in different chemical environments• apply the n+1 rule to analyse spin-spin splitting, limited to doublets, triplets and quartets where n is the number of hydrogen atoms on an adjacent carbon atom; • deduce a molecular structure from an nmr spectrum, limited to simple splitting patterns;

Wales

Qualification: A levels Year groups: Year 13 – AS level MS & IR Year 14 – A2 level NMR Exam boards : WJEC (from September 2015)

http://www.wjec.co.uk/qualifications/science/as-a-level/chemistry-as-a-level-2015/wjec-gce-chemistry-spec-from-2015.pdf?language_id=1

Overview: An introduction to the spectroscopic techniques that have replaced chemical tests in many applications in recent years, e.g. in the drivers’ breathalyser test. The focus here should be on data interpretation in order to identify a compound’s key characteristics and to draw conclusions together in finding its structure.

Mass SpectrometryLearners should be able to demonstrate and apply their knowledge and understanding of:• principles of the mass spectrometer and its use in determining relative atomic mass and relative abundance of isotopes • simple mass spectra, for example, that of chlorine gas• use of mass spectra in identification of chemical structure

InfraredLearners should be able to demonstrate and apply their knowledge and understanding of: • use of IR spectra in identification of chemical structure

NMRLearners should be able to demonstrate and apply their knowledge and understanding of:• use of high resolution 1H NMR spectra (alongside the other spectral data specified in 2.8) in the elucidation of structure of organic molecules • interpret and analyse spectra• use of 13C and low resolution 1H NMR spectra in identification of chemical structure

Scotland

Qualification: Higher ChemistryYear group: S5/6Exam board: SQA (From Aug 2015)Overview: http://www.sqa.org.uk/files_ccc/CfE_CourseSpecification_Higher_Sciences_Chemistry.pdf Detailed specification: http://www.sqa.org.uk/files_ccc/CfE_CourseUnitSupportNotes_Higher_Sciences_Chemistry.pdf

Spectroscopy based questions (including NMR) can appear in Higher question papers as problem solving exercises.

Qualification: Advanced Higher ChemistryYear group: S6Exam board: SQA (From Aug 2015) Overview: http://www.sqa.org.uk/files/nq/AHCourseSpecChemistry.pdfDetailed specification: http://www.sqa.org.uk/files_ccc/AHCUSNChemistry.pdf

Organic Chemistry and Instrumental Analysis Learners will discover the origin of colour in organic compounds and how elemental analysis and spectroscopic techniques are used to verify chemical structure

UV and visible absorption of transition metal complexes

Suggested learning activities: A UV-visible spectrometer measures the intensity of radiation transmitted through a sample, and compares this with the intensity of incident radiation. Determination of Mn in steel (PPA from unrevised AH). The wavelength ranges are approximately 200–400 nm for ultraviolet and 400–700 nm for visible light.

Exemplification of key areas: Ultraviolet and visible absorption spectroscopy involve transitions between electron energy levels in atoms and molecules where the energy difference corresponds to the ultraviolet and visible regions of the electromagnetic spectrum.

Mass spectrometry Interpretation of fragmentation data to gain structural information

Suggested learning activities: In mass spectrometry, the sample is first vaporised and ionised, and fragmentation occurs when excessive energy is used to ionise the molecules. The ion fragments are separated according to their mass-to-charge ratio using an electric or magnetic field. Many types of mass spectrometer will automatically compare the mass spectrum of the sample against a large database of known organic compounds to look for an exact match and to allow identification. The mass spectrum is like a fingerprint for a particular compound.

Exemplification of key areas: Mass spectrometry can be used to determine the accurate molecular mass and structural features of an organic compound. Fragmentation takes place producing parent ion and ion fragments. A mass spectrum is obtained showing a plot of the relative abundance of the ions detected against the mass-to-charge ratio. The molecular formula can be confirmed from a high accuracy determination of the mass of the parent ion. The fragmentation data can also be

interpreted to gain structural information. From a mass spectrum and empirical formula determine a molecular formula.

Infrared spectroscopy Interpretation of spectral data to gain structural information

Suggested learning activities: IR is still widely used as it is cheaper than NMR and can be used to follow reaction progress (ie carbonyl group present or absent). It also has many specialist applications in forensics, polymer chemistry and quality control. Chemguide.co.uk provides much background information on infrared spectroscopy.

Exemplification of key areas: Infrared spectroscopy can be used to identify certain functional groups in an organic compound. Infrared radiation causes parts of a molecule to vibrate. The wavelengths which are absorbed to cause the vibrations (stretches and bends) will depend on the type of chemical bond and the groups or atoms at the ends of these bonds. In infrared spectroscopy, infrared radiation is passed through a sample of the organic compound and then into a detector which measures the intensity of the transmitted radiation at different wavelengths. Infrared absorbances are measured in wavenumbers, the reciprocal of wavelength, in units of cm-1 .

NMR • Interpretation of 1H NMR spectra • Understand how a proton NMR spectrum is produced • Interpretation of spectral data to gain structural information• Draw and analyse low resolution proton NMR spectra and analyse high resolution proton NMR spectra

Suggested learning activities: The RSC website provides online NMR spectroscopy resources with video, tutorials and spectra databases. There is also a large RSC resource providing background theory for NMR and simple correlation information. Chemguide.co.uk provides background information on NMR spectroscopy as well as information on interpreting both low resolution and high resolution NMR spectra. Application of NMR in medical body scanners can be discussed here.

Exemplification of key areas : Proton nuclear magnetic resonance spectroscopy (proton NMR) can give information about the different environments of hydrogen atoms in an organic molecule, and about how many hydrogen atoms there are in each of these environments. In the proton NMR spectrum the peak position (chemical shift) is related to the environment of the H atom. The area under the peak is related to the number of H atoms in that environment. In a high resolution NMR an interaction with H atoms on neighbouring carbon atoms can result in the splitting of NMR peaks into ‘multiplets’. The number of H atoms on neighbouring carbon atoms will determine the number of peaks within a multiplet. Determine the ratio of hydrogen atoms in the environments using an integration curve. Hydrogen nuclei behave like tiny magnets and in a strong magnetic field some are aligned with the field (lower energy) whilst the rest are aligned against it (higher energy). Absorption of radiation in the radio-frequency region of the electromagnetic spectrum will cause the hydrogen nuclei to ‘flip’ from the lower to the higher energy alignment. As they fall back from the higher to the lower energy alignment the emitted radiation is detected. The standard reference substance used in NMR spectroscopy is tetramethylsilane (TMS) which is assigned a chemical shift value equal to zero.

Learners would be expected to be able to sketch and analyse low resolution proton NMR spectra and to analyse high resolution proton NMR spectra.

Practical skills and techniques • Preparation of standard solutions using accurate dilution technique• Formation and use of calibration curves, using colorimetry to determine an unknown concentration using solutions of appropriate concentration Possible experiments include: i) colorimetric determination of manganese in steel ii) determination of nickel using colorimetric analysis

Republic of Ireland

Qualification: Leaving certificateLevel: Higher and OrdinaryYear groups: 5th and 6th yearsExam board: Department of Education and Skills

Full content: http://www.education.ie/en/Schools-Colleges/Information/Curriculum-and-Syllabus/Senior-Cycle-/Syllabuses-and-Guidelines/lc_chemistry_sy.pdf

Atomic StructureStudents should know:• Relative atomic mass (Ar). The 12C scale for relative atomic masses• Use of the mass spectrometer in determining relative atomic mass.• Fundamental processes that occur in a mass spectrometer: vaporisation of substance, production of positive ions, acceleration, separation, detection (mathematical treatment excluded).

Section 3: Instrumentation

Instrumental methods of separation or analysis: Brief reference to the principles of each method. Interpretation of spectra etc. not required.

• Mass spectrometry

Ordinary Level:The mass spectrometer is an instrument that is capable of separating and recording the relative amounts of the isotopes of an element. These amounts can be used to calculate the relative atomic mass of an element. Brief reference to the principle of the method. Interpretation of spectra etc. not required. Examples of use: Analysis of (i) gases from a waste dump and (ii) trace organic pollutants in water.

Higher Level:In a mass spectrometer, the sample to be analysed is "injected" into the instrument, where it is vaporised, and then ionised by bombardment with a beam of high-energy electrons. The positive ions produced in this way are then accelerated through a slit, using an electric field, and deflected along a circular path (the degree of curvature of which depends on the mass of the ion), using a magnetic field. In this way they are separated into beams of ions of similar masses, and then they are detected electronically.

Need to be able to reproduce a diagram of a Mass Spectrometer instrument.

• Infra-red

Higher Level Only:It is used as a ‘fingerprinting’ technique involving absorption of infra-red radiation. Reference to molecular vibrations not required, but understanding this is very useful for explaining the principle of its operation. Examples of uses: Identification of organic compounds, e.g. plastics and drugs.

• Ultraviolet

Higher Level Only:Ultraviolet absorption spectrometry is a technique involving the absorption of ultraviolet radiation.as a quantitative technique involving the absorption of ultraviolet light. Examples of uses: Quantitative determination of organic compounds (e.g. drug metabolites, plant pigments).