CONTENTS

FINAL PROGRAM AT-A-GLANCE...................................................................... 3

FINAL PROGRAM....................................................................................................... 5

POSTERS ....................................................................................................................19

EXHIBITORS ............................................................................................................. 43

LATE ABSTRACTS .................................................................................................. 45

FINAL PROGRAM AT-A-GLANCE

MONDAY, 26 AUGUST

08:00-09:00 RegistrationRoom A

09:00-09:30 Opening Ceremony09:30-10:30 Keynote Lecture10:30-11:10 Plenary Lecture11:10-11:30 Coffee Break11:30-12:10 Plenary Lecture12:10-13:40 Lunch Break

13:40-16:10

Room AInvited

&SubmittedLectures

Room BInvited

&SubmittedLectures

Room CInvited

&SubmittedLectures

Room DInvited

&SubmittedLectures

20:00-22:00 Reception

TUESDAY, 27 AUGUST

Room A09:00-09:40 Plenary Lecture09:40-10:20 Plenary Lecture10:20-10:40 Coffee Break10:40-11:20 Plenary Lecture11:20-12:00 Plenary Lecture12:00-13:30 Lunch Break

13:30-16:15

Room AInvited

&SubmittedLectures

Room BInvited

&SubmittedLectures

Room CInvited

&SubmittedLectures

Room DInvited

&SubmittedLectures

16:15-16:30 Coffee Break16:30-18:30 Poster Session

WEDNESDAY, 28 AUGUST

Room A09:00-10:00 Keynote Lecture10:00-10:40 Plenary Lecture10:40-11:00 Coffee Break11:00-11:40 Plenary Lecture

11:50-12:50Room AInvited

Lectures

Room BInvited

Lectures

Room CInvited

Lectures

Room DInvited

Lectures12:50-14:00 Lunch Break14:00-19:00 Excursion (optional)

THURSDAY, 29 AUGUST

Room A09:00-09:40 Plenary Lecture09:40-10:20 Plenary Lecture10:20-10:40 Coffee Break10:40-11:20 Plenary Lecture

11:30-12:30Room AInvited

Lectures

Room BInvited

Lectures

Room C Invited

Lectures

Room D Invited

Lectures12:30-14:00 Lunch Break

14:00-16:15

Room AInvited

&SubmittedLectures

Room BInvited

&SubmittedLectures

Room C Invited

&SubmittedLectures

Room D Invited

&SubmittedLectures

16:15-16:30 Coffee Break16:30-18:30 Poster Session20:00-24:00 Banquet (optional)

FRIDAY, 30 AUGUST

Room A09:00-09:40 Plenary Lecture09:40-10:20 Plenary Lecture10:20-10:40 Coffee Break10:40-11:20 Plenary Lecture11:20-12:00 Plenary Lecture12:00-12:40 Plenary Lecture12:40-13:00 Closing Lecture

13:00-13:20 Closing CeremonyFINAL PROGRAM

MONDAY, 26 AUGUST

Room A

09:00-09:30 Opening Ceremony

Chair: D. A. Long

09:30-10:30

Keynote Lecture FEMTOSECOND COHERENT RAMAN SPECTROSCOPYW. Kiefer*, M. Schmitt, T. Siebert, M. Heid, A. Materny, A. S. Grabtchikov and V. Orlovich

10:30-11.10Plenary Lecture NEAR-FIELD RAMAN SPECTROSCOPY FOR CHEMICAL NANODIAGNOSTICSC. Fokas, V. Deckert, M. De Serio and R. Zenobi*

11:10-11:30 Coffee Break

Chair: V. K. Rastogi

11:30-12:10Plenary Lecture RESONANCE RAMAN STUDIES OF SOLVENT EFFECTS ON SECOND-ORDER NONLINEAR OPTICAL CHROMOPHORESA. M. Kelley* and A. M. Moran

12:10-13:40 Lunch Break

Room A

Chair: A. M. Heyns

13:40-14:10Invited LectureMULTIDIMENSIONAL THREE PULSE INFRARED SPECTROSCOPIES; FEMTOSECOND SNAPSHOTS OF VIBRATIONAL COHERENCES. Mukamel* and R. Venkatramani

14:10-14:40

Invited LectureEFFICIENT REJECTION OF FLUORESCENCE FROM RAMAN AND TIME RESOLVED RAMAN SPECTRA USING PICOSECOND KERR GATINGA. W. Parker*, P. Matousek, M. Towrie, D. Phillips, C. Ma, W. M. Kwok and W. T. Toner

14:40-15:10Invited LectureTIME-RESOLVED VIBRATIONAL SPECTRA OF EXCITED SINGLET AND TRIPLET STATES OF XANTHONE AND FLUORENONEC. Kato*, S. Tanaka and H. Hamaguchi

15:10-15:25Submitted LectureULTRAFAST VIBRATIONAL KINETICS DUE TO INTERNAL CONVERSION IN 4-NITROANILINE W. Werncke*, V. Kozich, J. Dreyer and T. Elsaesser

15:25-15:40Submitted LectureFEMTOSECOND COHERENCE SPECTROSCOPY OF BIOLOGICAL MOLECULESP.M. Champion*, F. Rosca, A. Kumar, D. Ionascu, X. Ye, C. Beck and F. Gruia

15:40-15:55

Submitted LectureON-LINE MONITORING OF AIRBORNE CHEMISTRY IN LEVITATED DROPLETS: IN-SITU SYNTHESIS AND APPLICATION OF SERS ACTIVE AG-SOLS FOR TRACE ANALYSIS BY RAMAN SPECTROMETRY B. Lendl*, N. Leopold, M. Haberkorn, T. Laurell and J. Nielson

15:55-16:10

Submitted LectureAPPLICATION OF NANO- AND PICOSECOND TIME-RESOLVED RESONANCE RAMAN SPECTROSCOPY TO PHOTOPHYSICAL CHARACTERIZATION OF DNA-BINDING METAL COMPLEXESC. G. Coates, J. J. McGarvey*, J. M. Kelly and A. Kirsch-De Mesmaeker

Room B

Chair: R. E. Hester

13:40-14:10Invited LectureSTRUCTURE AND BEHAVIOUR OF PROTEINS AND VIRUSES FROM RAMAN OPTICAL ACTIVITYL. D. Barron*, E. W. Blanch, C. D. Syme, K. Nielsen and L. Hecht

14:10-14:40

Invited LectureELECTRIC FIELD EFFECTS ON INTERFACIAL CHARGE TRANSFER PROCESSES PROBED BY TIME-RESOLVED SURFACE ENHANCED RESONANCE RAMAN SPECTROSCOPYD. H. Murgida, L. Rivas, and P. Hildebrandt*

14:40-15:10Invited Lecture RAMAN SPECTROSCOPY OF BIOLOGICAL TISSUER. R. Dasari*, J. T. Motz, A. S. Haka, M. Hunter, K. E. Shafer-Peltier and M. S. Feld

15:10-15:25Submitted LectureRESONANCE RAMAN INVESTIGATION OF DNA PHOTOLYASEJ. Schelvis, O. Sokolova, A. Gopal, N. Goyal, S. Wagner, K. Connell and Y. Gindt

15:25-15:40

Submitted LectureNEW INSIGHTS INTO THE PROXIMAL HEME CAVITY OF HORSERADISH PEROXIDASE VIA SITE DIRECTED MUTAGENESIS AND RESONANCE RAMAN SPECTROSCOPYG. Smulevich*, B. D Howes and A. T. Smith

15:40-15:55Submitted LectureDYNAMICS OF TRYPTOPHAN ORIENTATION IN BACTERIORHODOPSIN STUDIED BY RAMAN LINEAR INTENSITY DIFFERENCE SPECTROSCOPYH. Takeuchi*, K. Asakawa and S. Masuda

15:55-16:10

Submitted LectureVISIBLE AND UV RESONANCE RAMAN CHARACTERIZATION OF THE ’P’ INTERMEDIATE OF BOVINE CYTOCHROME C OXIDASET. Kitagawa*, M. Aki, Y. Kim, Y. Natura, K. Oda, K. Shinzawa-Itoh, S. Yoshikawa and T. Ogura

Room C

Chair: G. Baranović

13:40-14:10Invited LectureRECENT FOURIER TRANSFORM MICRO-RAMAN SPECTROSCOPIC STUDIES AT ULTRA-HIGH PRESSURESI. S. Butler

14:10-14:40Invited Lecture SPECTROSCOPIC STUDIES OF CHEMICAL REACTIVITY AT HIGH PRESSURESV. Schettino*, R. Bini, L. Ciabini, M. Citroni, M. Ceppatelli and M. Santoro

14:40-15:10Invited Lecture RAMAN SPECTROSCOPY OF FREE JET EXPANSIONS AND HYPERSONIC SHOCK WAVESA. Ramos, B. Maté, G. Tejeda, J. M. Fernández and S. Montero*

15:10-15:25Submitted Lecture THERMO-RAMAN SPECTROSCOPY FOR IN SITU DYNAMIC THERMAL ANALYSISR. Murugan

15:25-15:40

Submitted Lecture PRESSURE INDUCED PHASE TRANSITION IN METALLIC LAB6 : AN EXAMPLE OF LIFSHITZ TRANSITIONP. Teredesai, D. V. S. Muthu, N. Chandrabhas, A. K. Sood, S. Meenakshi, V. Vijayakumar, P. Modak, R. S. Rao, B. K. Godwal and S. K. Sikka

15:40-15:55Submitted LecturePHOTOPOLYMERISATION OF FULLERENESE. A. Carter*, R. S. Armstrong, P. A. Lay, P. Paul and C. A. Reed

15:55-16:10Submitted LecturePRESSURE-INDUCED AMORPHIZATIOND. Machon*, V. P. Dmitriev, P. Bouvier, G. Lucazeau and H.-P. Weber

Room D

Chair: Y. Ozaki

13:40-14:10

Invited LectureFOLLOWING CHEMISTRY IN PROTEIN CRYSTALS BY RAMAN MICROSCOPYP. R. Carey*, M. Altose, Y. Zheng, X. Zheng, R. Zheng, M. Pusztai-Carey and J. Dong

14:10-14:40Invited Lecture NEAR-FIELD RAMAN SPECTROSCOPY S.-L. Zhang, Z.-H. Zhang, J.-J. Wang, X. Zhu

14:40-15:10Invited Lecture CARS MICROSCOPY: 3D VIBRATIONAL IMAGING OF PROTEINS, DNA, AND LIPIDS IN LIVING CELLS X. Sunney Xie and J.-X. Cheng

15:10-15:25 Submitted Lecture POLARIZED RAMAN CONFOCAL MICROSPECTROSCOPY AND CHROMOPHORE ORIENTATIONS IN VARIOUS AZOPOLYMER HOLOGRAPHIC DIFFRACTION GRATINGS

F. Lagugné-Labarthet, J. L. Bruneel, T. Buffeteau and C. Sourisseau*

15:25-15:40

Submitted LectureBENEFITS OF IMMERSION OPTICS IN CONFOCAL RAMAN MICROSCOPYJ. Vyörykkä*, H. Iitti, I. Alasaarela, M. Halttunen, J. Tenhunen, T. Vuorinen and P. Stenius

15:40-15:55Submitted LectureCONSTRUCTION OF A PICOSECOND TIME-RESOLVED RAMAN SPECTROMETER WITH NEAR-INFRARED EXCITATION A. Sakamoto*, S. Matsuno, and M. Tasumi

15:55-16:10Submitted LectureSPONTANEOUS SPECTRAL SHIFTS IN SINGLE-MOLECULE SERRS SPECTRA OBSERVED ON ISOLATED Ag NANO-PARTICLEST. Vosgröne and A. J. Meixner*

20:00-22:00 Reception

TUESDAY, 27 AUGUST

Room A

Chair: M. Moskovits

09:00-09:40Plenary LectureTHEORY OF THE FIRST LAYER AND SINGLE MOLECULE SERSA. Otto

09:40-10:20Plenary LectureSURFACE ENHANCED RESONANCE RAMAN SCATTERING. PROPERTIES AND APPLICATIONSP. Goulet, T. Lemma, N. Pieczonka and R. Aroca*

10:20-10:40 Coffee Break

Chair: R. Aroca

10:40-11:20 Plenary Lecture ULTRASENSITIVE AND SINGLE MOLECULE RAMAN SPECTROSCOPY IN THE LOCAL OPTICAL FIELDS OF GOLD AND SILVER NANOSTRUCTURESK. Kneipp, H. Kneipp, R. R. Dasari, M. S. Feld and M. S. Dresselhaus

11:20-12:00Plenary LectureSURFACE-ENHANCED RAMAN SPECTROSCOPY – PAST AND FUTUREM. Moskovits

12:00-13:30 Lunch Break

Room A

Chair: Z. Meić

13:30-14:00Invited LectureSERS OF Ag-2,2' -BIPYRIDINE SURFACE SPECIES IN Ag HYDROSOL SYSTEMS: THE ROLE OF INDUCED Ag NANOPARTICLE GROWTH I. Srnová-Šloufová, K. Šišková, B. Vlčková* and J. Štěpánek

14:00-14:30

Invited LectureELECTROCHEMICAL SURFACE-ENHANCED RAMAN SPECTROSCOPY: ADVANTAGES, APPLICATIONS AND ADVANCESB. Ren, R.-A. Gu, Z.-Q. Tian*

14:30-15:00Invited Lecture FREE BASE PORPHYRIN METALATION IN LASER-ABLATED Ag COLLOID SERS SYSTEMS : EVIDENCE FOR THREE DIFFERENT PORPHYRIN FORMSM. Procházka*, P.-Y. Turpin, J. Štěpánek and B. Vlčková

15:00-15:15Submitted Lecture SURFACE-ENHANCED RAMAN SCATTERING (SERS) OF OXAZINE 720 ADSORBED ON A SILVER ELECTRODEA.G. Brolo* and A.C. Sanderson

15:15-15:30Submitted Lecture PLASMON SCANNED SURFACE-ENHANCED RAMAN EXCITATION PROFILESC. L. Haynes and R. P. Van Duyne*

15:30-15:45Submitted Lecture STM-TIP ENHANCED RAMAN SPECTROSCOPY ON ADSORBATES AT SMOOTH METAL FILMSB. Pettinger*, G. Picardi, R. Schuster and G. Ertl

15:45-16:00Submitted LectureSINGLE MOLECULE SERRS OF MIXED PERYLENE LANGMUIR-BLODGETT MONOLAYERS ON NOVEL METAL ISLAND SUBSTRATESN. Pieczonka, P. Goulet and R. Aroca*

16:00-16:15Submitted LecturePECULIARITIES OF THE SER SPECTRA OF SYMMETRICAL MOLECULES ADSORBED ON TRANSITION METAL SUBSTRATESA. M. Polubotko*, B. Ren, Q. J. Huang, J. L. Yao, and Z. Q. Tian

Room B

Chair: A. M. Kelley

13:30-14:00

Invited Lecture STRUCTURE ANALYSIS OF DI- AND TRIPEPTIDES BY FTIR, POLARIZED RAMAN AND VCD SPECTROSCOPYR. Schweitzer-Stenner*, F. Eker, P. Mroz, P. M. Kozlowski, X. Cao and L. Nafie

14:00-14:30Invited LectureRAMAN SCATTERING TENSORS IN BIOLOGICAL MOLECULES AND THEIR ASSEMBLIESM. Tsuboi

14:30-15:00

Invited LectureNON-RESONANCE CONFOCAL RAMAN IMAGING OF SINGLE CELLSN. Uzunbajakava*, A. Lenferink, Y. Kraan, B. Willekens, G. Vrensen, J. Greve and C. Otto

15:00-15:15

Submitted LecturePROTEIN AND NUCLEIC ACID SOLUTION STRUCTURE OF COWPEA MOSAIC VIRUS FROM RAMAN OPTICAL ACTIVITYE. W. Blanch*, G. P. Lomonossoff, V. Volpetti, K. Nielsen, L. Hecht and L. D. Barron

15:15-15:30Submitted LectureEFFECT OF CHLORINATED PHENOLS ON DPPC LIPOSOMES: RAMAN SPECTROSCOPY AND AB INITIO CALCULATIONSA. Csiszár, E. Koglin, A. Bóta* and E. Klumpp

15:30-15:45Submitted LectureFT-RAMAN SPECTROSCOPIC MONITORING OF THE METHACRYLIC ACID POLYMERIZATIONS. Borchert, M. Ulbricht and H. W. Siesler

15:45-16:00Submitted LectureDEGRADATION OF POLY (VINYL CHLORIDE) STUDIED BY MICRO RAMAN SPECTROSCOPYA. Gupper*, P. Wilhelm and M. Schiller

16:00-16:15

Submitted LectureDETERMINATION OF MOLECULAR COORDINATION IN ION-CONDUCTING POLYMER GELS VIA INVESTIGATION OF FERMI RESONANCE PERTURBED RAMAN BANDSD. Ostrovskii*, M. Edwardsson and P. Jacobsson

Room C

Chair: H. Kuzmany

13:30-14:00Invited LectureVAPOR-PHASE RAMAN SPECTRA OF NON-RIGID MOLECULES AT ELEVATED TEMPERATURESD. E. Autrey, Z. A. Arp, K. Haller and J. Laane*

14:00-14:30Invited LectureSTRUCTURAL INVESTIGATION OF ELECTRO-CERAMICS USING RAMAN SPECTROSCOPYR. S. Katiyar* and P. S. Dobal

14:30-15:00Invited LectureROLE OF POLYVINYL PYRROLIDONE IN SILVER NANOPARTICLES PREPARED BY γ-IRRADIATIONH. J. Yang, H. S. Shin, H. J. Nam, M. S. Lee and S. B. Kim*

15:00-15:15Submitted LectureSURFACE-ENHANCED RAMAN SCATTERING FOR ELECTROCHEMICALLY GROWN ZnSe WITH IMMERSED MAGNETIC Fe CLUSTERSE. Silveira*, A. R. de Moraes, D. H. Mosca, N. Mattoso and W. H. Schreiner

15:15-15:30Submitted LectureIN SITU MICRO-RAMAN STUDY OF THE CRYSTALLIZATION PROCESS UNDER CW LASER ANNEALING OF Si FILMSC. Santato, G. Mattei*, W. Ruihua and F. Mecarini

15:30-15:45

Submitted LecturePOLYCONJUGATED MOLECULES: FREQUENCY AND INTENSITY SPECTROSCOPY IN THE STUDY OF THEIR PECULIAR DYNAMICS AND ELECTRONIC STRUCTUREM. Del Zoppo*, A. Bianco, G. Zerbi, E. Pini and R. Stradi

15:45-16:00Submitted LectureCOMPARISON OF DFT METHODS FOR THE CALCULATION OF RAMAN AND IR SPECTRA : METABOLISM OF METHABENZTHIAZURONE. Koglin* and E.G. Witte

16:00-16:15

Submitted LectureLOW FREQUENCY VIBRATIONAL SPECTRA AND FORCE CONSTANT CALCULATIONS OF COBALT CARBONYL CLUSTER COMPLEXES CONTAINING μ3-BRIDGING SULFURL. Hajba*, E. Bencze, K. Tóth, L. Kocsis, J. Mink,, L. Markó, S. Vastag

Room D

Chair: G. Keresztury

13:30-14:00Invited LecturePOLARISED RAMAN AND INFRARED SPECTROSCOPY OF GLYCINE COMPOUNDS CRYSTALSJ. Baran

14:00-14:30Invited LectureHIGH RESOLUTION FEMTOSECOND CARS SPECTROSCOPYM. Motzkus

14:30-15:00Invited LectureAN ALL-SOLID-STATE NARROW-BAND, TUNABLE (187 – 1800 NM) LASER FOR RAMAN EXCITATIONV. A. Orlovich* and W. Kiefer

15:00-15:15Submitted LectureRAMAN ANALYSIS OF MULTIPHASE SYSTEMS OF CONTROLLED TRANSPORT PROPERTIESG. Marosi, I. Mohammed-Ziegler*, A. Szép and P. Anna

15:15-15:30Submitted LectureSPECTROELECTROCHEMICAL STUDIES USING CONFOCAL RAMAN MICROSPECTROMETRYF. Bonhomme, J. Grondin, J. C. Lassègues and L. Servant*

15:30-15:45

Submitted LectureTHE FORMATION CONSTANT OF AN ALUMINATE DIMER AS A FUNCTION OF THE ACTIVITY OF WATER. QUANTITATIVE INTERPRETATION OF THE RAMAN SPECTRA OF HIGHLY CONCENTRATED ALKALINE ALUMINATE, M’OH/Al(OH)3 SOLUTIONS (M’+ = Na+, K+, Cs+ AND (CH3)4N+)P. Sipos*, P. M. May and G. T. Hefter

15:45-16:00Submitted LectureRAMAN AND INFRARED SPECTRA, CONFORMATIONAL STABILITIES, AND AB INITIO CALCULATIONS OF SOME ORGANOSILANESJ. R. Durig*, C. Pan, S. Shen and G. A Guirgis

16:00-16:15

Submitted LectureVIBRATIONAL SPECTRA AND STRUCTURE OF TRANSITION METAL π-COMPLEXES: IR AND RAMAN SPECTRA AND DENSITY FUNCTIONAL CALCULATIONSB. V. Lokshin*, Yu. A. Borisov and O. G. Garkusha

16:15-16:30 Coffee Break

16:30-18:30 Poster Session

WEDNESDAY, 28 AUGUST

Room A

Chair: S.-L. Zhang

09:00-10:00Keynote LectureMULTIDIMENSIONAL COHERENT TRANSIENT INFRARED SPECTROSCOPY: THE IR ANALOGUES OF NMRR. M. Hochstrasser

10:00-10:40Plenary LectureRAMAN MICROSCOPY: SENSITIVE PROBE OF PIGMENTS ON MANUSCRIPTS, PAINTINGS AND OTHER ARTEFACTSR. J. H. Clark

10:40-11:00 Coffee Break

Room A

Chair: L. D. Barron

11:00-11:40Plenary LectureVIBRATIONAL OPTICAL ACTIVITY: CIRCULAR POLARIZATION FORMS, AND EXCITED STATE ELECTRONIC INTENSITY ENHANCEMENT FOR ROA AND VCDL. A. Nafie

11:50-12:20Invited LectureRAMAN OPTICAL ACTIVITY MEASUREMENTS WITHOUT FLICKER NOISE AND OFFSET PROBLEMSW. Hug

12:20-12:50Invited LectureCOMPARISON OF RAMAN OPTICAL ACTIVITY AND VIBRATIONAL CIRCULAR DICHROISM OF PROTEINS: WHAT YOU GET AND WHAT YOU DON’TR. K. Dukor* and L. A. Nafie

Room B

Chair: B. Vlčková

11:50-12:20Invited LectureSURFACE ENHANCED RESONANCE RAMAN SCATTERING – CURRENT UNDERSTANDING AND PRACTICAL APPLICATIONSW. E. Smith*, D. Graham, I. Khan, R. Keir and C. McLauglin

12:20-12:50Invited LectureSINGLE BIOMOLECULE SERS: PROMISES AND PROBLEMSE. J. Bjerneld*, H. Xu and M. Käll

Room C

Chair: J. R. Durig

11:50-12:20Invited Lecture NANOSIZE EFFECT ON TEMPERATURE AND PRESSURE INDUCED PHASE-TRANSITIONS IN ZIRCONIUM AND TUNGSTEN OXIDESG. Lucazeau*, P. Bouvier, E. Djurado, M. Boulova, T. Pagnier, V. Dmitriev

12:20-12:50Invited LecturePRERESONANCE RAMAN SCATTERING AS EFFECTIVE TOOL FOR INVESTIGATION OF ORGANOMETALLIC COMPOUNDS OF NOVEL CLASSESL. A. Leites* and S. S. Bukalov

Room D

Chair: B. Lendl

11:50-12:20Invited LectureRESONANCE RAMAN SPECTROSCOPY OF CONDUCTING POLYMERSY. Furukawa*, D. Okamura, H. Hamaki, S. Tagami and K. Honda

12:20-12:50Invited LectureVIBRATIONAL ENERGY REDISTRIBUTION OF HEME IN PROTEINS PROBED BY PICOSECOND TIME-RESOLVED RESONANCE RAMAN SPECTROSCOPYY. Mizutani* and T. Kitagawa

12:50-14:00 Lunch Break

14:00-19:00 Excursion (optional)

THURSDAY, 29 AUGUST

Room A

Chair: H. G. M. Edwards

09:00-09:40Plenary Lectureμ-CARS OF BIOMOLECULESC. Otto*, S. G. Kruglik, N. Uzunbajakava and J. Greve

09:40-10:20Plenary Lecture RAMAN SCATTERING IN SEMICONDUCTING NANOWIRES: PHONON CONFINEMENT AND RESONANCE EFFECTSP. C. Eklund

10:20-10:40 Coffee Break

Room A

Chair: S. Schneider

10:40-11:20Plenary Lecture “TRIPLE RESONANT” RAMAN SCATTERING IN SINGLE WALL CARBON NANOTUBES: OSCILLATIONS IN THE D AND D* BANDSJ. Kürti*, V. Zólyomi, A. Grüneis and H. Kuzmany

11:30-12:00Invited Lecture RAMAN ANALYSIS OF PRISTINE AND DOPED C60 PEAPODSH. Kuzmany*, T. Pichler, Ch. Kramberger and R. Pfeiffer

12:00-12:30

Invited LectureGENERAL ASPECTS OF RAMAN SPECTROSCOPY IN ONE-DIMENSIONAL SYSTEMS: THE STUDY OF ISOLATED SINGLE WALL CARBON NANOTUBESA. Jorio*, A. G. Souza Filho, M. A. Pimenta, R. Saito, G. Dresselhaus and M. S. Dresselhaus

Room B

Chair: B. Lokshin

11:30-12:00Invited LectureFROM SILICA TO CLAYS: MODELLING THE RAMAN SPECTRA OF MATERIALS WITH MOLECULAR DYNAMICSM. Arab, P. Bornhauser, D. Bougeard*, E. Geidel and K. S. Smirnov

12:00-12:30Invited LectureRAMAN SPECTRA OF POLYCYCLIC AROMATIC HYDROCARBONSM. Tommasini

Room C

Chair: D. K. Breitinger

11:30-12:00Invited LectureRAMAN SPECTROSCOPY OF BIOGEOLOGICAL MATERIALS IN EXTREME ENVIRONMENTS: FROM MARS OASIS, ANTARCTICA, TO PLANET MARSH. G. M. Edwards* and D. D. Wynn-Williams

12:00-12:30

Invited LectureRAMAN SPECTROSCOPY: A SUITABLE TOOL FOR PLANETARY INVESTIGATIONSJ. Popp*, N. Tarcea, M. Schmitt, W. Kiefer, R. Hochleitner, G. Simon, S. Hofer, E. Schmidt, T. Stuffler and M. Hilchenbach

Room D

Chair: Yu. A. Pentin

11:30-12:00Invited LectureSTIMULATED RAMAN PUMPING EXPERIMENTSD. Bermejo

12:00-12:30

Invited LectureBRAGG-RESONANT COHERENT ANTI-STOKES RAMAN SCATTERING AND FOUR-WAVE MIXING WITH SLOW AND CONFINED LIGHT IN PHOTONIC BAND-GAP STRUCTURES: PAVING THE WAY FOR NONLINEAR OPTICS AND SPECTROSCOPY WITH LOW-ENERGY PULSESA. M. Zheltikov

12:30-14:00 Lunch Break

Room A

Chair: J. Kürti

14:00-14:30

Invited LectureTHEORY OF RAMAN SCATTERING IN SINGLE WALL CARBON NANOTUBESR. Saito*, A. Grueneis, A. Jorio, A. G. Souza Filho, G. Dresselhaus, M. S. Dresselhaus, M. A. Pimenta, L. G. Cancado, V. W. Brar and G. G. Samzonidze

14:30-15:00Invited LectureDOUBLE RESONANT RAMAN SCATTERING IN CARBON NANOTUBESS. Reich, C. Thomsen* and J. Maultzsch

15:00-15:30

Invited LectureRAMAN AND SERS STUDIES OF CARBON NANOTUBES SYSTEMSS. Lefrant*, J. P. Buisson, J. M. Benoit, J. Schreiber, O. Chauvet, C. Godon, M. Baibarac and I. Baltog

15:30-15:45

Submitted LectureDISPERSIVE RAMAN MODES IN ISOLATED SINGLE WALL CARBON NANOTUBEA. G. Souza Filho, A. Jorio, V. W. Brar, Ge. G. Samsonidze, R. Saito, M. A. Pimenta, G. Dresselhaus and M. S. Dresselhaus

15:45-16:00Submitted LectureSTRUCTURE, DYNAMICS, AND STABILITY OF NOVEL SCANDIUM ENDOHEDRAL FULLERENESM. Krause*, L. Dunsch, H. Kuzmany, V. Popov and G. Seifert

16:00-16:15Submitted Lecture DETECTION OF PLANAR CHROMATOGRAPHY SPOTS BY INFRARED AND RAMAN SPECTROSCOPYL. Kocsis*, J. Mink, K. Fodor, B. Babócsi

Room B

Chair: R. K. Dukor

14:00-14:30

Invited LectureIDENTIFICATION OF ILLICIT DRUGS BY SURFACE ENHANCED RAMAN SPECTROSCOPYS. Schneider*, B. Sägmüller, G. Brehm, G. Trachta, J. Stropp and B. Schwarze

14:30-15:00Invited LectureTIME-RESOLVED RAMAN SPECTROSCOPY OF PHARMACEUTICAL MOLECULESH. Takahashi*, M. Mizuno, M. Sakai, A. Nakata, T. Baba and H. Nakai

15:00-15:30

Invited LectureRAMAN STUDY OF POTENTIAL "ANTISENSE" DRUGS: HYBRIDISATION PROPERTIES OF DINUCLEOSIDE MONOPHOSPHATE ANALOGS WITH SINGLE MODIFIED INTERNUCLEOTIDE LINKAGEJ. Štěpánek*, J. Hanuš, K. Ruszová-Chmelová, P.-Y. Turpin

15:30-15:45

Submitted LectureAPPLICATION OF RAMAN MICROSPECTROSCOPY FOR THE IN-VITRO CHARACTERISATION OF BIOACTIVE PROPERTIES OF BIORESORBABLE POLYMERIC FOAMS FILLED WITH BIOGLASS® PARTICLESI. Notingher*, A. R. Boccacini, V. Maquet, R. Jérôme and L. L. Hench

15:45-16:00Submitted LectureRECENT APPLICATIONS OF MICRORAMAN AND PL SPECTROSCOPY TO THE ANALYSIS OF GEOMATERIALSM. Bloomfield

16:00-16:15

Submitted LectureSURFACE-PLASMON-POLARITON RAMAN SCATTERING FOR THE STUDY OF ANCHORING AND ORIENTATIONAL WETTING OF NEMATIC LIQUID CRYSTALS ON SELF-ASSEMBLED MONOLAYERSE. M. Cheadle, D. N. Batchelder*, S. D. Evans, D. A. Smith, K. J. Baldwin, H. Fukushima and T. Tamaki

Room C

Chair: J. Popp

14:00-14:30Invited LectureRAMAN SPECTROMETRY IN MINERALOGY AND GEOLOGYD. K. Breitinger

14:30-15:00Invited LectureDO NONTRONITES HOLD THE KEY TO LIFE ON MARS?R. L. Frost* and J. T. Kloprogge

15:00-15:30Invited LectureRAMAN SPECTROSCOPY OF OXOCARBONS AND RELATED SPECIESP. S. Santos

15:30-15:45 Submitted LectureRAMAN INVESTIGATION OF SELECTED CERAMIC PIGMENTS, PORCELAINS AND CLAYS

D. de Waal* and V. Esterhuizen

15:45-16:00Submitted LectureA HOLISTIC RAMAN SPECTROSCOPIC INVESTIGATION OF AN ARCHAEOLOGICAL SITE IN AFRICAL. C. Prinsloo*, A. Bumby, I. Meiklejohn and A. Meyer

16:00-16:15

Submitted LectureTHE HYDROTHERMAL FORMATION OF HYDRONIUM ALUNITE FROM AQUEOUS Al2(SO4)3 SOLUTIONS AND THE CHARACTERIZATION OF THE SOLID PHASE- ALUNITEW. W. Rudolph

Room D

Chair: A. M. Zheltikov

14:00-14:30

Invited LectureDEVELOPMENTS OF HIGH TEMPERATURE RAMAN SPECTROSCOPIC TECHNIQUE AND ITS APPLICATIONS ON MICRO-STRUCTURE STUDY OF INORGANIC MATERIALS J. Guochang, Y. Jinglin and X. Kuangdi

14:30-15:00

Invited LectureSURFACE ENHANCED HYPER RAMAN SCATTERING FROM MOLECULES ADSORBED ON METAL-NANOPARTICLES-ON-SMOOTH-ELECTRODE: EXPERIMENTS AND THEORYX.-Y. Li*, Q.-J. Huang, V. I. Petrov, Q. Luo, X. Yu, Y. Yan and N.-T. Yu

15:00-15:30Invited LecturePHONON FREQUENCY SPECTRUM OF HTSC: EuBaCuFeO5

S. Mohan

15:30-15:45Submitted LectureINVERSE RAMAN SPECTROSCOPY FOR ORDERED SYSTEMS M. Kubinyi, A. Grofcsik, J. Baran and W. J. Jones*

15:45-16:00Submitted LectureLASER-INDUCED ELECTRON TRANSFER PROCESS IN PORPHYRINSA. L. Verma and H. H. Thanga

16:00-16:15

Submitted LectureHIGH-RESOLUTION SPECTROSCOPY OF MOLECULAR RESONANCES BY TIME-DOMAIN CARSV. Arakcheev, S. Mochalov, V. Morozov, A. Olenin, V. Tunkin and D. Yakovlev

16:15-16:30 Coffee Break

16:30-18:30 Poster Session

20:00-24:00 Banquet (optional)

FRIDAY, 30 AUGUST

Room A

Chair: K. Nakamoto

09:00-09:40Plenary LectureUV RESONANCE RAMAN INVESTIGATIONS OF THE CONFORMATIONAL DYNAMICS OF PROTEIN AND PEPTIDE FOLDINGS. A. Asher*, A. Ianoul, A. Mikhonin, and I. K. Lednev

09:40-10:20

Plenary LectureRESONANT SOFT X-RAY RAMAN SPECTROSCOPYC. Heske*, O. Fuchs, D. Eich, A. Fleszar, L. Weinhardt, U. Groh, R. Fink and E. Umbach

10:20-10:40 Coffee Break

Chair: I. S. Butler

10:40-11:20Plenary LectureGENERALIZED TWO-DIMENSIONAL RAMAN CORRELATION SPECTROSCOPYY. Ozaki

11:20-12:00Plenary Lecture UNDERSTANDING SOLVENT EFFECTS FROM RESONANCE RAMAN INTENSITIESN. Biswas, G. Balakrishnan, H. Mohapatra and S. Umapathy*

12:00-12:40

Plenary LectureNONLINEAR RAMAN EFFECTS IN MOLECULES SUBJECTED TO INTENSE ULTRASHORT PULSES – FROM FEMTOSECOND TO ATTOSECOND SPECTROSCOPYA. D. Bandrauk*, N. Hong Shon and F. Legare

12:40-13:00Closing LectureICORS 2004I. S. Butler

13:00-13:20 Closing Ceremony

POSTERS

Posters are listed by sections according to the first author, in alphabetical order

The poster numbers contain the number of the poster board and the starting date when it is to be displayed (M=Monday, W=Wednesday)

SECTION 1THEORETICAL ADVANCES IN RAMAN SCATTERING: VIBRATIONAL ANALYSIS / MOLECULAR DYNAMICS AND STRUCTURE / BAND SHAPE / BAND INTENSITY

1/M FTIR AND FTR SPECTRAL ANALYSIS OF (N-2,3-DICHLOROPHENYL)- AND (N-2,4-DICHLOROPHENYL)-2,2-DICHLOROACETAMIDESV. Arjunan, S. Subramanian and S. Mohan

2/M VIBRATIONAL SPECTROSCOPY OF RESVERATROLF. Billes, I. Mohammed-Ziegler, H. Mikosch and E. Tyihák

3/M RAMAN BAND SHAPE ANALYSIS OF A LOW TEMPERATURE MOLTEN SALTA. O. Cavalcante and M. C. C. Ribeiro

4/M FT-RAMAN, AB INITIO AND FT-SERS OF 9(10H)ACRIDONES. Cîntă Pînzaru, C. Morari, T. Iliescu

5/M RAMAN AND INFRARED SPECTRA, CONFORMATIONAL STABILITIES, AND AB INITIO CALCULATIONS OF SOME ORGANOSILANESJ. R. Durig, C. Pan, S. Shen and G. A. Guirgis

6/M INVESTIGATION OF METHYLPYRAZINES BY VIBRATIONAL SPECTROSCOPY AND QUANTUM CHEMICAL CALCULATIONSH. Endrédi, F. Billes and G. Keresztury

7/M MEASUREMENTS AND THEORETICAL CALCULATIONS OF RAMAN DEPOLARIZATION RATIOS FOR TOTALLY SYMMETRIC MODES OF SOME AROMATIC MOLECULESK. Furuya, H. Watanabe, Y. Okamoto, A. Sakamoto, and M. Tasumi

8/M ANGULAR RESOLVED PHENOMENOLOGICAL RAMAN INTENSITY EXPRESSIONS IN TERMS OF POLARIZATION DEPENDENT OBSERVABLESL. Hecht

9/M FERMI RESONANCE IN POLYPHENYLS: AN AB-INITIO STUDYG. Heimel, D. Somitsch, P. Knoll and E. Zojer

10/M RESONANT FORWARD SCATTERING OF PHOTONS: BIREFRACTIVITY OF A SINGLE ATOMV. Hizhnyakov, M. Rozman,

11/M COLLISION-INDUCED LIGHT SCATTERING OF ADAMANTANE, C10H16, IN THE GAS-PHASE

U. Hohm and G. Maroulis

12/M NORMAL RAMAN SPECTROSCOPIC AND AB INITIO QUANTUM MECHANICAL STUDIES OF BENZOTRIAZOLE IN SOLUTIONS WITH DIFFERENT pHSZ.-F. Huang, D.-Y. Wu, B. Ren, Z.-X. Xie and Z.-Q. Tian

13/M VIBRATIONAL SPECTRA AND FORCE FIELD OF ACETATE ION – DIFFICULTIES ENCOUNTERED WITH THE SQM APPROACHK. István, G. Keresztury, O. Berkesi and T. Sundius

14/M DEVELOPMENT OF BLOCH STATES IN CONJUGATED POLYMERSJ. Kreith, D. Somitsch, P. Knoll, F. P. Wenzl, U. Scherf, G. Leising

15/M MOLECULAR POLARIZABILITY, DIAMAGNETIC SUSCEPTIBILITY AND ELECTRON IONIZATION CROSS-SECTION OF 3,5-DIFLUORO-BENZONITRILES. Kumar, Y. C. Sharma, R. P. Tanwar and V. K. Rastogi

16/M VIBRATIONAL ANALYSIS OF POLY(PARA-XYLYLENE)R. Madivanane and S. Mohan

17/M VIBRATIONAL ANALYSIS OF BENZALDEHYDE: RAMAN SPECTRA AND DFT CALCULATIONSZ. Meić, T. Hrenar, R. Mitrić and G. Keresztury

18/M AMIDE MODE φ,ψ DEPENDENCE IN PEPTIDES FROM AB INITIO VIBRATIONAL FREQUENCY MAPSN. G. Mirkin and S. Krimm

19/M THE NORMAL COORDINATE ANALYSIS AND INTERPRETATION OF IR AND RAMAN SPECTRA OF POLYFLUOROETHYLENES. Mohan and P. Nallasamy

20/M ISOTROPIC RAMAN LINE SHAPE OF COUPLED AND UNCOUPLED STATES OF FLUID NITROGEN NEAR ITS GAS-LIQUID CRITICAL POINTM. Musso, F. Matthai, D. Keutel, and K.-L. Oehme

21/M AB INITIO CALCULATIONS ON LADDER TYPE OLYGO (p-PHENYLENE): COMPARISON OF CALCULATION METHODS AND BASIS SETSD. Somitsch, F.P. Wenzl, J. Kreith, U. Scherf , G. Leising, P. Knoll

22/M EXTENDED DIPOLE-INDUCED DIPOLE MECHANISM FOR GENERATING RAMAN AND OPTICAL KERR EFFECT INTENSITIES OF LOW-FREQUENCY DYNAMICS IN LIQUIDSH. Torii

23/M VIBRATIONAL RELAXATION IN 4,4'-DIBROMOBENZOPHENONE CRYSTALV. Volovšek and L. Bistričić

SECTION 2RAMAN SPECTROSCOPY UNDER EXTREME CONDITIONS (PRESSURE, TEMPERATURE, HIGH MAGNETIC FIELD, ETC.)

24/M FT RAMAN MICROSPECTROSCOPY AT HIGH EXTERNAL PRESSURE. CRYSTALLINE ANTHRACENE AND TRANS-CINNAMIC ACIDG. Baranović and D. Babić

25/M DETECTION OF OCCUPANCY DIFFERENCES IN METHANE GAS HYDRATES BY RAMAN SPECTROSCOPYS. Brunsgaard Hansen, R. W. Berg, and E. H. Stenby

26/M TOWARDS THE UNDERSTANDING OF RELAXOR FERROELECTRICS: A HIGH-PRESSURE RAMAN STUDYJ. Kreisel, B. Chaabane,, P. Bouvier, G. Lucazeau

27/M LOW TEMPERATURE N2:He STATE-TO-STATE COLLISION RATES DETERMINED BY RAMAN SPECTROSCOPYB. Maté, J. M. Fernández, G. Tejeda and S. Montero

28/M HIGH-PRESSURE RAMAN STUDY ON A RELAXOR FERROELECTRIC PEROVSKITE Pb(Mg1/3Nb2/3)O3

Y. Morioka, H. Saitoh, S. Suzuki, and T. Shishido

29/M RAMAN SCATTERING SPECTRA IN MAGNETOELASTIC CRYSTALSCsDy(1-x)Gd(x)(MoO4)2

N. Nesterenko, V. Gnezdilov, V. Fomin, Ya. Zagvozdina, Yu. Kharchenko

30/M VIBRATIONAL STUDIES AND DENSITY FUNCTIONAL THEORY CALCULATIONS ON 3-SILAOXETANE AND 3-SILATHIETANEI. Pavel, D. Moigno, W. Kiefer, K. Strohfeld and C. Strohmann

31/M ULTRA-HIGH TEMPERATURE RAMAN SPECTRA AND MICRO-STRUCTURE STUDY OF Li2B4O7 CRYSTAL, GLASS AND ITS MELTJ. L. You, G. C. Jiang, Q. Wen, H. Y. Hou, Y. Q. Wu, H. Chen and K. D. Xu

SECTION 3INSTRUMENTATION / ADVANCED TECHNIQUES / NEAR FIELD / MICRO RAMAN / IMAGING AND MAPPING / 2D RAMAN SPECTROSCOPY

32/M COMBINED CONFOCAL RAMAN MICROSCOPE WITH SCANNING ELECTRON MICROSCOPE; DEGRADATION OF THE BIO-DEGRADABLE POLYMERSY. Aksenov, A. A. van Apeldoorn,, J. D. de Bruijn, C. A. van Blitterswijk,,J. Greve, C. Otto

33/M BRILLOUIN SCATTERING IN LIQUID TOLUENEA. Asenbaum, C. Theisen, G. Moser, M. Musso and E. Wilhelm

34/M MODELING AND MEASURING THE EFFECT OF REFRACTION AND DIFFRACTION ON THE FOCUS LENGTHENING ON CONFOCAL MICRO-RAMAN EXPERIMENTSL. Baia, K. Gigant, U. Posset, G. Schottner, W. Kiefer and J. Popp

35/M CHARACTERIZATION OF STRUCTURAL TRANFORMATION OF SODIUM MOLYBDENUM OXIDES BY TWO-DIMENSIONAL RAMAN CORRELATION

SPECTROSCOPYB. Chae, Y. Mee Jung, X. Wu, and S. Bin Kim

36/M SURFACE-ENHANCED RESONANCE RAMAN SCATTERING ON SILVER ISLAND FILMS OF SINGLE MOLECULES DISPERSED IN A FATTY ACID LANGMUIR-BLODGETT MONOLAYERC. J. L. Constantino, T. Lemma, P. A. Antunes and R. Aroca

37/M TOWARDS IN SITU NEAR-FIELD RAMAN MICROSCOPY OF SINGLE CATALYTIC SITESCh. Fokas, and V. Deckert

38/M ATR-SNOM RAMAN SPECTROSCOPYM. Futamata

39/M A NEW SINGLE GRATING SPECTROGRAPH FOR ULTRAVIOLET RAMAN SCATTERING STUDIESL. Hecht

40/M CHARACTERIZATION OF ELECTROCHEMICAL Li+ INSERTION-EXTRACTION OF CoO BY TWO-DIMENSIONAL RAMAN CORRELATION SPECTROSCOPYY. Mee Jung, H. Chul Choi and S. Bin Kim

41/M TERAHERTZ TIME DOMAIN SPECTROSCOPY OF ORDINARY AND EXTRAORDINARY PHONON-POLARITON IN LITHIUM NIOBATES. Kojima, N. Tsumura, H. Kitahara, M. Wada Takeda and S. Nishizawa

42/M PHONON ANISOTROPY MANIFESTATION IN SPECTRA OF RAMAN SCATTERING BY EXTRAORDINARILY POLARIZED POLARITONST. V. Laptinskaya, A. N. Penin

43/M HIGH PRESSURE BRILLOUIN SCATTERING IN LIQUID n-HEXANEJ. Laubereau, A. Asenbaum, M. Musso, and Emmerich Wilhelm

44/M RAMAN MICROSCOPIC STUDY OF THE ADSORPTION OF GALLIC ACID ONTO DIFFERENT WOOD SPECIESI. Mohammed-Ziegler, A. Holmgren and W. Forsling

45/M MULTIWAVE SOLID-STATE LASER SYSTEM BASED ON STIMULATED RAMAN SCATTERING AND COHERENT MIXING FOR SPECTROSCOPIC APPLICATIONSV. A. Orlovich, P. A. Apanasevich, S. A. Batishche, A. A. Bui, R. V. Chulkov, A. S. Grabtchikov, A. V. Kachinski, A. A. Kouzmouk, A. V. Lisinetskii, I. I. Mishkel and G. A. Tatur

46/M TWO-DIMENSIONAL CORRELATION ANALYSIS OF GLYCINE DURING HEATING BY FT-RAMAN AND FT-IR SPECTROSCOPYS. Sun, Q. Zhou

47/M MULTI-POINT CONFOCAL RAMAN MICROSCOPY USING A DIFFRACTIVE OPTICF. C. Thorley, D. N. Batchelder and D. C. Lee

48/M 2-D STOICHIOMETRY DETERMINATION BY OMA RAMAN IMAGINGR.A.L. Tolboom, N.M. Sijtsema, J.M. Mooij, J.D.M. Maassen, N.J. Dam and J.J. Ter Meulen

49/M APERTURELESS SNOM: ULTRA-HIGH RESOLUTION MICROSCOPY FOR RAMAN SPETROSCOPEJ. J. Wang, D. N. Batchelder, D. A. Smith, J. Kirkham, C. Robinson, Y. Saito, K.

Baldwin and B. Bennett

SECTION 4ULTRA-FAST PHENOMENA / TIME-RESOLVED RAMAN SPECTROSCOPY / ULTRAFAST COHERENT RAMAN SPECTROSCOPY

50/M CARP – CHIRPED ADIABATIC RAMAN PASSAGE – THEORY & APPLICATIONSA. D. Bandrauk and F. Légaré

51/M NONLINEAR RAMAN SPECTROSCOPY WITH UV-ATTOSECOND PULSESA. D. Bandrauk, N. Hong Shon

52/M THE APPLICATION OF FEMTOSECOND TIME-RESOLVED COHERENT RAMAN TECHNIQUES FOR THE INVESTIGATION OF NON RADIATIVE TRANSITIONS IN POLYATOMIC MOLECULEST. Siebert, A. Materny,, W. Kiefer and M. Schmitt

53/M TRANSFORM RELATION BETWEEN CARS AND ABSORPTION IN THE CASE OF PULSE EXCITATIONI. Tehver

SECTION 5SURFACE ENHANCED SCATTERING

54/M STUDY OF STRUCTURE AND MECHANISM OF CHARGE TRANSFER BETWEEN BIS-CROWN ETHER STILBENE AND BISAMMONIUM DERIVATIVES OF DIPYRIDYLETHYLENE. SURFACE-ENHANCED RAMAN SCATTERING SPECTROSCOPY APPROACHI. S. Alaverdian, A. V. Feofanov, S. P. Gromov, A. Vedernikov, A. Botsmanova and M. V. Alfimov

55/M THE CHEMICAL MECHANISM IN THE SERS SPECTRUM OF PYRAZINEB. D. Alexander and T. J. Dines

56/M THE NATURE OF CHARGE TRANSFER STATES OF THE METAL-ADSORBATE COMPLEX IN SERSJ. F. Arenas, S.P. Centeno, I. López Tocón, D. J. Fernández, J. C. Otero

57/M BEAD INJECTION FOR SURFACE ENHANCED RAMAN SPECTROSCOPY. AUTOMATED ON-LINE MONITORING OF SUBSTRATE GENERATION AND APPLICATION IN QUANTITATIVE ANALYSISM. J. Ayora Cañada, A. Ruiz Medina, J. Frank and B. Lendl

58/M EXPLOITING DISPOSABLE MEDIA FOR SURFACE-ENHANCED RAMAN SPECTROSCOPY – HIGH SENSITIVITY RAMAN MEASUREMENTS FROM COMPACT SPECTROMETERSL. J. Barrett, S. E. J. Bell, A. C. Dennis and S. J. Spence

59/M SERS INVESTIGATION ON SOME BENZOHYDROXAMIC ACID DERIVATIVES ADSORPTION ON SILVER AND COPPERO. Blajiev and A. Hubin

60/M A THEORETICAL STUDY ON SINGLE MOLECULE SURFACE ENHANCED RAMAN SCATTERINGS. Corni and J. Tomasi

61/M SERS AND SEIR JOINT STUDIES ON GOLD, SILVER AND COPPER NANOSTRUCTURESC. Domingo, J. V. Garcia-Ramos, S. Sanchez-Cortes and J. A. Aznarez

62/M SURFACE-ENHANCED RAMAN SCATTERING SPECTROSCOPY STUDY OF NEW AZACROWN-CONTAINING CHROMENEA. V. Feofanov, I. S. Alaverdian, O. A. Fedorova, A. V. Chebun’kova, S. P. Gromov and M. V. Alfimov

63/M THEORETICAL EVALUATION OF THE LOCAL ELECTRIC FIELD ON Ag PARTICLESM. Futamata

64/M SURFACE-ENHANCED RAMAN STUDY OF THE ADSORPTION OF LUCIGENIN AND RELATED VIOLOGENS ON Ag NANOPARTICLES AND ELECTRODES: INFLUENCE OF DIFFERENT ANIONSJ. V. Garcia-Ramos, J. I. Millán, S. Sanchez-Cortes and C. Domingo

65/M DENSITY FUNCTIONAL THEORETICAL AND SURFACE-ENHANCED RAMAN SPECTROSCOPIC STUDY ON GUANINE AND ITS ALKYLATED DERIVATIVES: THE INFLUENCE OF pH AND SURFACE SUBSTRATEB. Giese and D. McNaughton

66/M DEVELOPMENT AND CHARACTERIZATION OF SERS-ACTIVE SUBSTRATES FOR NEAR-FIELD RAMAN SPECTROSCOPYJ. Grand, J.-L. Bijeon, M. Lamy de la Chapelle, P.-M. Adam, S. Kostcheev, A. Rumyantseva, P. Royer

67/M NEW SERS ACTIVE SUBSTRATES-SILVER PARTICLE FILMS PREPARED FROM AGGREGATION OF SILVER PARTICLES TRAPPED AT AN AIR-WATER INTERFACEJ. Hu, B. Zhao, W. Xu, Y. Fan, B. Li, and Y. Ozaki

68/M SURFACE-ENHANCED RAMAN SPECTROSCOPIC AND ATOMIC FORCE MICROSCOPIC STUDIES OF SELF-ASSEMBLE Au-Pt NANOPARTICLES WITH DIFFERENT SIZESJ.-Q. Hu, B. Ren, J.-W. Yan, Z.-L. Yang and Z.-Q. Tian, L.-H. Lu, H.-J. Zhang, S.-Q. Xi

69/M RAMAN, SURFACE ENHANCED RAMAN SPECTROSCOPY AND DENSITY FUNCTIONAL THEORY STUDIES OF 2-FORMYLFURANT. Iliescu, M. Bolboaca, S. Cînta-Pînzaru, R. Pacurariu, D. Maniu, M. Ristoiu, W. Kiefer

70/M TLC-RAMAN AND TLC-SERS MEASUREMENTS OF COMPOUNDS CONTAINING AMINO AND CARBOXYL GROUPSK. István and G. Keresztury

71/M MASS PRODUCTION OF NANO-SIZED SILVER PARTICLES FOR HIGHLY ACTIVE SERS SUBSTRATESM. S. Lee, S. I. Nam, E. S. Min and S. B. Kim

72/M SINGLE MOLECULE DETECTION OF PTCD-NH2 BY SURFACE ENHANCED RESONANCE RAMAN SCATTERING ON GOLD AND SILVER COLLOIDST. Lemma and R. Aroca

73/M RAMAN AND SURFACE ENHANCED RAMAN STUDY OF METOCLOPRAMIDE AT DIFFERENT pH VALUESN. Leopold,, S. Cîntă Pînzaru, G. Damian, O. Cozar, J. Popp, W. Kiefer

74/M MERCAPTOPURINE ADSORPTION ON SILVER COLLOID STUDIED BY SURFACE ENHANCED RAMAN SPECTROSCOPYN. Leopold,, S. Cîntă Pînzaru, W. Kiefer, B. Lendl

75/M HYDROXYLAMINE REDUCED SILVER COLLOID: A NEW SUBSTRATE FOR SURFACE-ENHANCED RAMAN SCATTERINGN. Leopold, B. Lendl

76/M FURTHER EXTENDING OF SURFACE-ENHANCED RAMAN SPECTROSCOPY ON RHODIUM IN THE SOLID/ GAS SYSTEMX.-F. Lin, B. Ren, Y.-Y. Liao, Z.-Q. Tian

77/M A COMPARISON OF ELECTROCHEMICAL AND COLLOIDAL SURFACE ENHANCED RAMAN SCATTERING (SERS) FROM TWO ANALYTES DESIGNED TO CHEMISORB TO SILVER SURFACESR. E. Littleford, G. Dent, D. Graham, C. McHugh and W. E. Smith

78/M CONTRIBUTION OF THE CHARGE TRANSFER MECHANISM TO THE SERS SPECTRA OF 2,4,6-TRIMETHYLPYRIDINE ON SILVER ELECTRODEI. López-Tocón, S. P. Centeno, M. R. López Ramírez and J. C. Otero

79/M SINGLE MOLECULE DETECTION WITH SERSY. Maruyama,, M. Ishikawa and M. Futamata

80/M RDX DETECTION BY FLOWCELL SERRSM. L. Monaghan, W. E. Smith, D. Graham, C. McHugh, R. Lacey, M. Hogbin

81/M CORRESPONDENCE OF THE SERS SPECTRA OF 4-METHYLPYRIDINE IN SILVER HYDROSOL AND ADSORBED ON SILVER ELECTRODEM. Muniz-Miranda

82/M TOWARDS MOLECULAR RECOGNITION OF ENANTIOMERS USING SURFACE-ENHANCED RAMAN SPECTROSCOPYG. Nikolakopoulos, S. Bottle and P. M. Fredericks

83/M SURFACE ENHACED RAMAN SPECTROSCOPY INVESTIGATION OF METHIONINE CONTAINING DIPEPTIDES ADSORBED ON COLLOIDAL SILVERE. Podstawka,, L. M. Proniewicz,, Y. Ozaki,

84/M RAMAN SPECTROSCOPY OF SPIN CROSSOVER COMPLEXES IN A DNA ENVIRONMENTK. L. Ronayne, J. J. McGarvey, G. Molnár,, C. G. Coates, J. G. Hamilton, J. McGinley, A. C. Dennis.

85/M IDENTIFICATION OF DRUGS AND THEIR HUMAN METABOLISM PRODUCTS BY COUPLING OF LIQUID CHROMATOGRAPHY AND SURFACE-ENHANCED-RAMAN SCATTERING SPECTROSCOPYB. Sägmüller, B. Schwarze, B. Brehm, S. Schneider, G. Rozing

86/M A SIMPLE CHEMICAL METHOD FOR THE PREPARATION OF SILVER SURFACES FOR EFFICIENT SERSY. Saito, J. J. Wang, D. A. Smith and D. N. Batchelder

87/M RAMAN STUDY OF THE ADSORPTION OF ANTHRAQUINONE DRUGS ON Ag NANOPARTICLES AND THEIR COMPLEXES WITH ALBUMINS OF DIFFERENT

ORIGINSS. Sanchez-Cortes, G. Fabriciova, C. Domingo, J. V. Garcia-Ramos and P. Miskovsky

88/M SERRS OF METHYL GREENI. T. Shadi, B. Z. Chowdhry and R. Withnall

89/M SERRS OF METANIL YELLOWI. T. Shadi, B. Z. Chowdhry, M. J. Snowden and R. Withnall

90/M ETHYLENE AND OXYGEN ON COLD-DEPOSITED COPPER INVESTIGATED BY IR-TRANSMISSION AND RAMAN SPECTROSCOPYM. Sinther, C. Siemes, A. Bruckbauer, A. Pucci, A. Otto

91/M PREPARATION OF SERS-ACTIVE ELECTRODES VIA ELECTROCRYSTALLIZATION OF SILVERE. Tourwé and A. Hubin

92/M THE CONTRIBUTION OF THE LIGHTNING-ROD EFFECT TO SURFACE-ENHANCED RAMAN SCATTERING OF PYRIDINE ADSORBED ON SOME TRANSITION-METAL SURFACESZ.-L. Yang, J.-L. Yao, B. Ren, H.-G. Zhou and Z.-Q. Tian

93/M SERS STUDY OF INDUCED ADSORPTION OF BIPHENYLCARBOXYLIC ACID ON GOLD COLLOID MONOLAYERS.-C. Yu, K. H. Yu , J. M. Rhee, and S. Ko

SECTION 6NON-LINEAR EFFECTS / CARS / RIKES

94/M TEN YEARS OF STIMULATED RAMAN SPECTROSCOPY FOR TEMPERATURE DIAGNOSTIC IN ROCKET ENGINESH. Berger, F. Chaussard, X. Michaut, R. Saint-Loup, P. Joubert, J. Bonamy and D. Robert

95/M CHARACTERIZATION OF UROPORPHYRIN I OCTAMETHYL ESTER BY RESONANCE CARS AND RESONANCE RAMAN SPECTROSCOPYJ. Koster, S. Schlücker, J. Popp and W. Kiefer

96/M STRUCTURE OF RED FLUORESCENT PROTEIN DsRed AS REVEALED FROM RESONANCE CARS SPECTRAS. G. Kruglik,, V. Subramaniam,, J. Greve and C. Otto

97/M THE STATE OF ART OF ROTATIONAL RAMAN SPECTRUM MODELLING, APPLIED TO NITROGEN CARS THERMOMETRY IN INTERNAL COMBUSTION ENGINESH. Tran, P. Joubert, J. Bonamy, L. Bonamy, D. Robert, F. Chaussard, R. Saint-Loup and H. Berger, M. Afzelius,, C. Brackmann, P.-E. Bengtsson, M. J. Horner and G. N. Robertson

98/M TIME-RESOLVED RESONANCE COHERENT ANTI-STOKES RAMAN SPECTROSCOPY INVESTIGATIONS: STRUCTURAL DYNAMICS OF PHOTO-ACTIVE PROTEINSL. J. Ujj, A. C. Terentis, and G. H. Atkinson

99/M HIGH RESOLUTION SPECTROSCOPY OF SULFUR TRIOXIDE: ANALYSIS OF THE

CARS Q-BRANCH SPECTRUM OF 32S16O3

A. Weber, E.t.H. Chrysostom, J. Barber, T. Masiello, J.W. Nibler, T.A. Blake and A. Maki

SECTION 7RESONANCE RAMAN SPECTROSCOPY

100/M CALCULATION OF THE RESONANCE RAMAN SPECTRA OF PYRAZINE USING THE PERTURBATION METHODM. Dehestani

101/M A RESONANCE RAMAN SPECTROSCOPIC INVESTIGATION OF PIGMENTS USED IN PRINTING INKST. J. Dines and H. Onoh

102/M MODE MIXING IN RESONANCE RAMAN SCATTERING: REORGANIZATION OF CHEMICAL BONDSV. Hizhnyakov, H. Kaasik and I.Tehver

103/M THE AGGREGATION OF BIS(2,4,6-TRIHYDROXYPHENYL)SQUARAINE IN SOLUTION INVESTIGATED BY RAMAN SPECTROSCOPYJ. G. S. Lopes and P. S. Santos

104/M RESONANCE RAMAN STUDY OF THE EXCITED-STATE PROTON TRANSFER IN 1-HYDROXY-2-ACETONAPHTHONEA. V. Szeghalmi, R. Maksimenka, I. Pavel, W. Kiefer, M. Schmitt

105/M PHOTO-INDUCED DIACID PRODUCTS OF OCTAETHYLPORPHIN PROBED BY RESONANCE RAMAN AND ABSORPTION TECHNIQUESH.H. Thanga and A.L. Verma

SECTION 9RAMAN OPTICAL ACTIVITY / RAMAN SCATTERING ANISOTROPY

106/M PERFORMANCE CHARACTERISTICS OF A DUAL CIRCULAR POLARIZATION RAMAN OPTICAL ACTIVITY SPECTROMETERD. A. Dunmire and L. A. Nafie

107/M RAMAN OPTICAL ACTIVITY STUDIES OF MODEL POLYPEPTIDE CONFORMATIONSI. H. McColl, E. W. Blanch, L. Hecht and L. D. Barron

108/M TWO OPPOSITE KINDS OF E-DOUBLET SPLITTING ANISOTROPY IN RAMAN SPECTRA OF TETRAGONAL GYROTROPIC CRYSTALSA.V. Slobodyanyuk, S. G.. Garasevich

109/M PURPOSE-ORIENTED BASIS SETS FOR RAMAN AND RAMAN OPTICAL ACTIVITY CALCULATIONSG. Zuber and W. Hug

SECTION 10ADVANCED MATERIALS: FULLERENE AND CARBON NANOTUBES / DIAMOND / SUPER-HARD MATERIALS / OTHER NANOSCALE MATERIALS AND OTHER NEW MATERIALS

110/M RAMAN SPECTRA OF ZIRCONIA BASED CERAMIC MATERIALSN. Berezovska, A. Naumenko, M. Biliy, I. Dmitruk, O. Shevchenko

111/M DETERMINE THE SIZE OF Si QUANTUM DOTS BY RAMAN METHODD-Y. Chien, C-T. Chia, T-C. Lin and S-C. Lee

112/M CARBON NANOTUBES FORMATION ON THE SURFACE OF DIAMOND FILM STUDIED BY IN SITU RAMAN SCATTERINGC.-C. Chiu, N.-H. Tai, I.-N. Lin and C.-T. Chia

113/M CHARACTERIZATION OF SINGLE WALL CARBON NANOTUBES FILLED WITH SILVER CHLORIDEP. Corio, P. S. Santos, M. A. Pimenta and M. S. Dresselhaus

114/M INFLUENCE OF Ca SUBSTITUTION ON RAMAN SPECTRAOF SrBi2Ta2O9 CERAMICSR. R. Das, W. Pérez, and R. S. Katiyar

115/M INTERPRETATION OF RESONANT RAMAN AND INFRARED SPECTRA OF AMORPHOUS, NANOSTRUCTURED AND DIAMOND-LIKE CARBON FILMSA. C. Ferrari

116/M A RAMAN STUDY ON FREE STANDING CARBON NANOTUBESM. Hulman, H. Kuzmany, G. T. Kim and S. Roth

117/M RAMAN SPECTROSCOPY OF SELECTED SYNTHESIZED HYDROTALCITEST. E. Johnson, R. L. Frost, W. N. Martens, and J. T. Kloprogge

118/M RAMAN MODE ANALYSIS OF SINGLE CRYSTALS OF THE NOVEL Sn0.3Ni4Sb7Sn5 SKUTTERUDITESP. Knoll, M. Musso, M. Pressl, P. Rogl, and A. Grytsiv

119/M RESONANCE RAMAN PROPERTIES OF PRISTINE AND INTERCALATED SINGLE WALL CARBON NANOTUBES SYNTHESISED BY THE HIPCO PROCESSA. Kukovecz, T. Pichler,, Ch. Kramberger, V. Georgakilas, M. Prato and H. Kuzmany

120/M CHARACTERIZATION OF GaP AND TiO2 NANOWIRES BY RAMAN SPECTROSCOPYM. Lamy de la Chapelle, H. X. Han, G. H. Li, C. C. Tang, C. Wang, Y. D. Li and S. S. Fan

121/M POLARIZED RAMAN MEASUREMENTS IN ZEOLITE-GROWN SINGLE-WALL CARBON NANOTUBESJ. Maultzsch, P. M. Rafailov, M. Machón, S. Reich, and C. Thomsen

122/M RAMAN SCATTERING AND PHOTOLUMINESCENCE IN GRAPHITE NANOPARTICLESN. N. Melnik and V. A. Karavanski

123/M RAMAN SPECTRA OF CARBON FILMS, PREPARED BY PULSED LASER DEPOSITION IN DIFFERENT ATMOSPHERESM. Veres, S. Tóth, N. Jegenyés, A.P. Caricatod, M. Füle, Z. Tóth, M. Koós and I. Pócsik

124/M RESONANT RAMAN SCATTERING FROM Si DOPED AND N DOPED a-C:H FILMSM. Yoshikawa, K. Matsuda, N. Morita , T. Matsunobe, Y. Izumi and J. Wagner

125/M RAMAN SPECTRA AND MICROSTRUCTURE OF Ag-MgF2 CERMET FILMS

Cao Zhuo-Liang and Sun Zhao-Qi

126/M RAMAN SPECTROSCOPY OF DIAMOND NANO-CRYSTALY. Yan, S. L. Zhang, X. S. Zhao, Y. S. Han and L. Hou

SECTION 11SEMICONDUCTORS AND RELATED LOWER DIMENSIONAL STRUCTURES / 2-D ELECTRONIC GAS

127/M LOW WAVENUMBER RAMAN SCATTERING FROM NANOSIZED CdSXSe1-X

CRYSTALS EMBEDDED IN GLASS MATRIXK. Babocsi, M. Ivanda, C. Dem, M. Schmitt, M. Montagna, W. Kiefer

128/M DETERMINATION OF NANOSIZED PARTICLE DISTRIBUTION BY MEANS OF LOW WAVENUMBER RAMAN SCATTERINGC. Dem, M. Ivanda, K. Babocsi, M. Schmitt, W. Kiefer

129/M RAMAN SCATTERING AND STIMULATED LIGHT EMISSION FROM NANOSIZED SILICON CRYSTALSM. Ivanda,, W. Kiefer, C. W. White, and U. Desnica

130/M LASER-INDUCED RAMAN AND PHOTOLUMINESCENCE BAND CHANGES AND THEIR REVERSIBILITY IN POROUS SILICONE. J. Liang, M. J. Chao and P. Ding

131/M TEMPERATURE-DEPENDENT LAYER THICKNESS OF Ge/Si SUPERLATTICE DETERMINED BY FOLDED ACOUSTIC PHONONC.-H. Lin, C.-T. Chia, H. H. Cheng

132/M RAMAN SCATTERING CHARACTERIZATION OF STRUCTURAL AND ELECTRICAL PROPERTIES IN DEFECTIVE SEMICONDUCTORSS. Nakashima and Y. Nakatake

133/M RAMAN SPECTRA OF TO PHONONS IN HEAVILY DOPED POLAR SEMICONDUCTORSS. Nakashima, K. Matsuda, M. Yoshikawa, S. Nishizawa, and N. Oyanagi

134/M CHARACTERIZATION OF STRESS, CRYSTALLINITY, AND CARRIER CONCENTRATION IN Si-DOPED GaN FILMS BY RAMAN AND CATHODOLUMINESCENCE SPECTROSCOPIESR. Sugie, K. Matsuda, M. Yoshikawa, Y. Nagasawa, and H. Harima

SECTION 13THE SOLID STATE: NON-CRYSTALLINE MATERIALS / MOLECULAR CRYSTALS / PHASE TRANSITIONS / OTHERS

1/W RAMAN SPECTRA AND PRESSURE-INDUCED PHASE TRANSITIONS IN ScF3 CRYSTALK. S. Aleksandrov, V. N. Voronov, A. N. Vtyurin, S. A. Goryainov, N. G. Zamkova, V. I. Zinenko, A. S. Krylov

2/W HYDROGEN BONDING INTERACTIONS OF A BENZYLIDENE TYPE SCHIFF BASE IN THE SOLID STATEO. Berkesi, T. Körtvélyesi, Cs. Németh and I. Pálinkó

3/W MICRO-RAMAN STUDY OF SUBSTITUTIONS IN BI-LAYERED COMPOUNDSP. S. Dobal, A. Dixit and R. S. Katiyar

4/W STRUCTURAL PHASE TRANSITION IN (Ge2S3)X(As2S3)1-X CHALCOGENIDE GLASSESO. Gamulin, M. Ivanda and V. Mitsa

5/W PHASE TRANSITION OF (TEA)2ZnCl4 SINGLE CRYSTALS STUDIED BY RAMANG. J. Gao, C.-T. Chia, J. T. Yu, T. S. Jung

6/W INFRARED AND POLARISED RAMAN SPECTRA OF THE LAYERED DOUBLE ALUMINIUM MOLYBDATES OF CAESIUM AND RUBIDIUMK. Hermanowicz, M. Maczka, J. Hanuza.

7/W ANTIFERROELECTRIC PHASE TRANSITION OF BETAINE ORTHO-PHOSPHORIC ACID COMPLEX STUDIED BY POLARISED INFRARED AND RAMAN SPECTROSCOPYM. M. Ilczyszyn

8/W RAMAN STUDIES OF LOCAL-DENSITY FLUCTUATION IN SUPERCRITICAL FLUIDSK. Ishii , H. Nakayama, M. Murai, and K. Masuda

9/W INVESTIGATION ON PHASE TRANSFORMATIONS OF Na3PO4

J. Kalaiselvi, R. Gangadharan, P. Sridarane, D. Shanmukaraj and R. Murugan

10/W RAMAN SCATTERING STUDIES OF PHASE TRANSITIONS IN CH3HgX (X= Cl, Br, I) CRYSTALSD. Kirin and V. Mohaček-Grošev

11/W RAMAN SPECTRA AND PHASE TRANSITIONS IN THE Rb2KScF6 ELPASOLITEA. S. Krylov, A. N. Vtyurin, A. Bulou, and V. N. Voronov

12/W REVERSIBLE PHASE TRANSITION IN Zn2(O,O-DICYCLOHEXYL DITHIOPHOSPHATE)4, STUDIED BY RAMAN SPECTROSCOPY AND COMPARED WITH NMR RESLULTSM. L. Larsson, A. Holmgren, and W. Forsling

13/W DISTINGUISHING DISORDER INDUCED BANDS FROM ALLOWED RAMAN BANDS IN GRAPHITET. Livneh and M. Moskovits

14/W COINCIDENCE OF THE RAMAN AND IR SPECTRA AND THE VIBRONIC PART OF THE Eu+ EMISSION IN THE KEu(WO4)2 AND KEu(MoO4)2 CRYSTALSL. Macalik and J. Hanuza

15/W RAMAN SCATTERING STUDY OF POTASSIUM HEXATUNGSTATEM. Maczka, J. Hanuza and A. Waskowska

16/W STUDIES OF VANADATE LEAD GLASSES USING RAMAN SPECTROSCOPYD. Maniu, T. Iliescu, I. Ardelean, C. Dem and W. Kiefer

17/W RAMAN SPECTROSCOPIC STUDY OF NEAR IR RADIATION EFFECTS ON SOLID m- AND p-NITROANILINEST. Misiaszek and M. M. Szostak

18/W LOW ENERGY VIBRATIONAL MODES OF PTCDA: RAMAN EXPERIMENTS AND SIMULATIONST. Muck, V. Wagner, M. Schneider, E. Umbach and J. Geurts

19/W THERMO-RAMAN INVESTIGATION ON PHASE TRANSFORMATIONS OF γ-Bi2MoO6

R. Murugan, R. Gangadharan, Ja. Kalaiselvi, B. Palanivel and S. Mohan

20/W IRRADIATION-INDUCED DISORDERING OF GRAPHITE AND RAMAN SPECTRAK. Niwase

21/W A RAMAN SCATTERING STUDY OF THE PHASE TRANSITIONS IN THE MIXED SYSTEM (Sr1-XCax)TiO3 AT AMBIENT PRESSURE FROM 8 TO 500 KR. Ouillon, J.-P. Pinan-Lucarré, P. Ranson, Ph. Pruzan, S. K. Mishra, R. Ranjan and D. Pandey

22/W STRUCTURAL INVESTIGATIONS OF MANGANESE DOPED GeO2-Bi2O3 SYSTEMS. Simon, L. Baia, T. Iliescu, J. Popp and W. Kiefer

23/W RAMAN AND IR STUDIES OF COPPER DOPED B2O3-Bi2O3 GLASS CERAMICS WITH HIGH BISMUTH OXIDE CONTENTR. Stefan, L. Baia, J. Popp, W. Kiefer and S. Simon

24/W RAMAN AND IR SPECTRA OF Zn-DOPED LITHIUM NIOBATE CRYSTALSM-L. Sun, C-T. Chia, M-L. Hu, J. Y. Chang, W-S. Tse, Z. P. Yang and H. H. Cheng

25/W VIBRONIC COUPLINGS IN VIBRATIONAL SPECTRA AND ANHARMONICITY OF VIBRATIONS IN o-METHYLO-p-NITROANILINE (MNA) CRYSTALS. QUANTUM CHEMICAL CALCULATIONS AND BAND ASSIGNMENTSM. M. Szostak, T. Misiaszek, U. Okwieka and S. Roszak

SECTION 14INORGANIC / ORGANO-METALLIC / COMPLEX MOLECULES / ORGANIC SYSTEMS

26/W CATALYTIC DISPROPORTIONATION OF HYDROGEN PEROXIDE BY MOLYBDATE IONS STUDIED BY RAMAN SPECTROSCOPYM. Arab, D. Bougeard, J. M. Aubry, J. Marko, J. F. Paul and E. Payen

27/W VIBRATIONAL SPECTROSCOPY AND NORMAL COORDINATE ANALYSIS OF 2-AMINOPHENOL AND 2-PHENYLENEDIAMINE COMPLEXESK. M. Bahgat and A. S. Orabi

28/W CONFORMATIONAL ANALYSIS OF THE PROTONATED AMINES [H3N(CH2)nNH3]+ (n=7 TO 10, n=12), SPERMIDINE AND SPERMINEL. A. E. Batista de Carvalho, M. P. M. Marques and J. Tomkinson

29/W STRUCTURAL ANALYSIS OF SOME ANIONIC HEXACOORDINATE SILICON (IV)

COMPLEXES BY MEANS OF RAMAN AND INFRARED SPECTROSCOPYM. Bolboaca, A. Biller, C. Burschka, M. Penka, R. Tacke, and W. Kiefer

30/W VIBRATIONAL AND THEORETICAL INVESTIGATIONS OF PHENYL-SUBSTITUTED IMINOPHOSPHORANE AND ITS CORRESPONDING ORGANOLITHIUM COMPLEXM. Bolboaca, M. Pfeiffer, D. Stalke and W. Kiefer

31/W SPIN-CROSSOVER PHENOMENON IN [Fe(phen)2(NCS)2] – RAMAN SPECTROSCOPY AND DFT CALCULATIONSG. Brehm, M. Reiher and S. Schneider

32/W UREA-ACID COMPLEXES STUDIED BY RAMAN SPECTROSCOPYB. Z. Chowdhry and R. Withnall

33/W RAMAN SPECTRA OF HEXAGERMAPRIZMANI. Dmitruk,, S. Suto, A. Naumenko, A. Sekiguchi, A. Watanabe, A. Kasuya, T. Goto

34/W UNDERSTANDING THE VIBRATIONAL BEHAVIOR OF LINEARLY FUSED HETEROCYCLESO. Egyed, G. Keresztury and T. Sundius

35/W VIBRATIONAL SPECTRA AND MOLECULAR STRUCTURE OF LANTHANIDE(III) COMPLEXES WITH 3-BROMO-4-METHOXY-PYRIDINE N-OXIDE LnCl3(3-Br-4-CH3OC7H7NO)3.P. Godlewska, H. Ban-Oganowska, L. Macalik, J. Hanuza and W. Oganowski

36/W RAMAN AND INFRARED SPECTROSCOPIC AND THEORETICAL STUDY OF Re-Re CONTAINING ACETATESL. Hajba, J. Mink,, F. E. Kühn, W. A. Herrmann

37/W FOURIER-TRANSFORM RAMAN AND INFRARED SPECTROSCOPIC ANALYSIS OF 2-NITRO-TETRAPHENYLPORPHYRIN AND METALLO-2-NITRO-TETRAPHENYLPORPHYRINSJ. Hu,, I. Pavel, D. Moigno, M. Wumaier, W. Kiefer, Z. Chen, Y. Ye, Q. Wu, Q. Huang, S. Chen, F. Niu and Y. Gu

38/W RAMAN SPECTROSCOPIC STUDY OF DIMERIC-PENTACYANOPLATINUM(III) IN AQUEOUS SOLUTIONF. Jalilehvand, J. Mink, M. Sandström

39/W KINETIC RAMAN SPECTROSCOPY OF THE HYDROLYSIS OF METHYL PARABENSA. I. Khan, A. P. Mendham, B. Z. Chowdhry and R. Withnall

40/W SULFONIC ACIDS – A RAMAN SPECTROSCOPIC STUDY OF THEIR BEHAVIOUR IN NON-AQUEOUS AND AQUEOUS SOLUTIONSB. M. Kiernan, H. G. M. Edwards

41/W RAMAN AND FT-IR SPECTROSCOPY OF MAN-MADE SYNGENITEJ. T. Kloprogge and R. L. Frost

42/W VIBRATIONAL SPECTRA AND FORCE FIELD STUDY OF SULFITO COMPLEXES OF RHODIUMV. Komlósi, H. Meinberg, D. K. Breitinger, and J. Mink

43/W VIBRATIONAL SPECTRA AND CONFORMATION OF THE AZO- AND HYDRAZO – BONDS IN NITRO- AND METHYLNITRO-DERIVATIVES OF 2,2’ –HYDRAZO- AND AZOPYRIDINES

E. Kucharska, J. Hanuza,, M. Maczka, Z. Talik

44/W A RAMAN STUDY OF PHENOLIC ACID DERIVATIVES DISPLAYING ANTITUMOR PROPERTIESM. P. M. Marques, C. Gomes, E. van Besien, F. Borges and N. Milhazes,

45/W RAMAN SPECTROSCOPIC STUDIES OF AZETIDINONE, (S)-(-)-2-AZETIDINECARBOXYLIC ACID AND 3-AZETIDINECARBOXYLIC ACIDA. P. Mendham, B. Z. Chowdhry and R. Withnall

46/W VIBRATIONAL SPECTRA AND CONFORMATION OF THE AZO- AND HYDRAZO – BONDS IN 2-PHENYLAZO- AND 2-PHENYLHYDRAZO-NITROPYRIDINESJ. Michalski, J. Hanuza, M. Maczka, Z. Talik

47/W RAMAN AND FAR INFRARED SPECTRA OF THE LOW FREQUENCY REGION IN HOFMANN-TYPE THIOPHEN CLATHRATESB. Minčeva-Šukarova, L. Andreeva, S. Akyüz and C. A. Koh

48/W SYNTHESIS AND CHARACTERISATION OF THE COMPLEX OF Mn(II) WITH 6-AZAURACILL. Mittal, D.Tyagi, M. A. Palafox, V. K. Rastogi and R. Chandra

49/W RAMAN SPECTROSCOPY OF CYANIDE-BRIDGED, IRON(II) SPIN-CROSSOVER COORDINATION POLYMERS: ESTIMATION OF THE VIBRATIONAL CONTRIBUTIONS TO THE SPIN TRANSITION ENTROPYG. Molnár, A. Bousseksou, V. Niel, J.-A. Real and J. J. McGarvey

50/W RAMAN AND INFRARED SPECTRA OF Te2(CF3)2 AND ITS STRUCTURED. Naumann, H. Pohl and J. Shamir

51/W RHODIUM ACETONITRILE COMPLEXES IMMOBILISED IN ORDERED MESOPOROUS SILICA C. D. Nunes, M. Pillinger, P. D. Vaz, Pa. J. A. Ribeiro-Claro, F. E. Kühn, J. Rocha, and I. S. Gonçalves

52/W VIBRATIONAL SPECTROSCOPY AND DENSITY FUNCTIONAL THEORY CALCULATIONS ON IRON SILYL COMPLEXES, [Cp(OC)2Fe]2SiX2 (X=H, OH, F, Cl, Br, I)I. Pavel, D. Moigno, M. Vögler, H. Jehle, H. Käb, W. Malisch and W. Kiefer

53/W VIBRATIONAL SPECTROSCOPY INVESTIGATION AND DENSITY FUNCTIONAL THEORY CALCULATIONS ON DIPHENYLPHOSPHANYL(TRIMETHYLSILYL)AMINE LIGAND AND THE CORRESPONDING ZINC COMPLEXM. Pfeiffer, M. Bolboaca, D. Stalke and W. Kiefer

54/W RAMAN SPECTROSCOPIC STUDIES OF GALLIUM(III)- AND INDIUM(III) IN AQUEOUS SOLUTIONS AND AB-INITIO MOLECULAR ORBITAL CALCULATIONS OF GALLIUM(III) - AND INDIUM(III) WATER CLUSTERSW. W. Rudolph, C. C. Pye and G. Irmer

55/W STRUCTURAL INVESTIGATIONS ON TRANS-DIAQUA-BIS(PICOLINATO)ZINC(II)-DIHYDRATE BY VIBRATIONAL SPECTROSCOPY AND DENSITY FUNCTIONAL THEORYP. K. Sinha, M. Bolboaca, S. Schlücker, J. Popp and W. Kiefer

56/W ION PAIRING OF ALKALI METAL IONS WITH CARBONATE AND SULPHATE IN AQUEOUS SOLUTIONSP. Sipos, L. Bolden, S. Kratsis, P. M. May and G. T. Hefter

57/W SPECTROSCOPTC STUDIES OF BIOLOGICALLY ACTIVE METAL COMPLEXES OF

Mn(II) WITH THIOPHENE-2-THIOHYDRAZIDER. P. Tanwar, S. L. Gupta, A. Singh, M. A. Palafox and V. K. Rastogi

58/W SYNTHESIS AND CHARACTERISATION OF THE COMPLEX OF Mn(II) WITH 5-AZAURACILR. P. Tanwar, M. A. Palafox, V. K. Rastogi, D. Tyagi and R. Chandra

59/W RAMAN SPECTROSCOPIC INVESTIGATION OF Cu(II)-HISTAMINE COMPLEXESA. Torreggiani, M. Tamba and G. Fini

60/W FT-RAMAN SPECTRA OF MODEL COMPOUNDS OF RELEVANCE TO LIGNIN YELLOWING: METHOXYBENZOQUINONE AND TETRAHYDROXYBENZO-QUINONEH. Tylli

61/W THE υC=O AND υC-H OSCILLATORS AS VIBRATIONAL SPECTROSCOPIC PROBES TO C-H···O HYDROGEN BONDS IN KETONESP. D. Vaz and P. J. A. Ribeiro-Claro

62/W AGGREGATION PHENOMENA IN CINCHONINE AQUEOUS SOLUTIONS MEASURED BY RAMAN SPECTROSCOPYA. Weselucha-Birczyńska and H. Majcherczyk

SECTION 15MACROMOLECULES AND POLYMERS

63/W APPLICATION OF FT-RAMAN SPECTROSCOPY FOR ANALYSIS OF PHTHALATE ESTERS IN PVC PLASTICSR. W. Berg and T. Nørbygaard

64/W INTERACTION OF A CONDUCTING POLYMER AND A RUTHENIUM COMPLEX IN ULTRATHIN FILMS: POTENTIAL APPLICATION IN ARTIFICIAL TASTE SENSORSC. J. L. Constantino, R. Aroca, M. Ferreira, K. Wohnrath, A. Riul Jr, J. A. Giacometti, O. N. Oliveira Jr and L. H. C. Mattoso

65/W RESONANCE RAMAN STUDIES OF ANILINE OXIDATION IN MONTMORILLONITE WITH FORMATION OF A NEW TYPE OF CONDUCTING POLYMER-CLAY NANOCOMPOSITE MATERIALG. M. do Nascimento, V. R. L. Constantino and M. L. A. Temperini

66/W RAMAN MICROSCOPIC STUDIES ON THE ORIENTATION AND CRYSTALLINITY OF POLYPROPYLENEA. Gupper, P. Wilhelm, P. Zipper, D. Gregor-Svetec, M. Gahleitner

67/W INVESTIGATIONS ON THE MORPHOLOGY OF A COMMERCIAL PA / PTFE BLEND: A COMPARISON OF DIFFERENT ANALYTICAL METHODS FOR POLYMER CHARACTERISATIONA. Gupper, P. Wilhelm, M. Schmied, S. G. Kazarian, A. K. L. Chan, J. Reußner

68/W CHEMICAL MAPPING OF AGAROSE PARTICLES AS DETERMINED BY CONFOCAL RAMAN SPECTROSCOPYM. Larsson, J. Lindgren, A. Ljunglöf and K-G. Knuuttila

69/W RAMAN DISPERSION IN POLYACETYLENES: A COMPARISON BETWEEN DIFFERENT PYRIDYL SUBSTITUTED POLYACETYLENESR. P. Millen, D. L. A. de Faria and M. L. A. Temperini

70/W ANALYSIS OF GLASS TRANSITION OF AMORPHOUS POLYMER USING THERMAL SCANNING RAMAN SPECTROSCOPYN. Muraki, M. Yoshikawa and Y. Nagasawa

71/W MORPHOLOGY AND CRYSTALLINITY OF COMPATIBILIZED AND UNCOMPATIBILIZED POLYMER BLENDS OF NYLON 12 AND POLYETHYLENE STUDIED BY RAMAN MAPPINGH. Sato, S. Sasao, K. Matsukawa, Y. Kita, T. Ikeda, H. Tashiro, Y. Ozaki

SECTION 16THIN FILMS AND MEMBRANES

72/W RESONANCE RAMAN AND FT-RAMAN STUDY ON MOLECULAR STRUCTURE OF AZOBENZENE LB FILMS AND LIQUID CRYSTALSN. Katayama, N. Hayashi, T. Kato and T. Seki

73/W BRILLOUIN SCATTERING FROM SPIN WAVES IN Co/Ti MULTILAYER FILMSYulong Liu G. G. Siu, and Zhu Ke

74/W CHARACTERIZATION OF FLUORINE-DOPED SILICON DIOXIDE BY RAMAN SPECTROSCOPYK. Matsuda, M. Yoshikawa, Y. Yamaguchi, N. Morita, T. Matsunobe and Y. Nagasawa

75/W TEMPERATURE DEPENDENT MICRO-RAMAN STUDY OF SOL GEL DERIVED LANTHANUM DOPED LEAD TITANATE THIN FILMSA. Savvinov, S. Bhaskar, S. B. Majumder, and R. S. Katiyar

76/W VIBRATIONAL STUDIES OF PLASMA-POLYMERISED SILOXANE THIN FILMSB. C. Trasferetti, C. U. Davanzo and M. A. B. de Moraes

SECTION 17PROTEINS / PEPTIDES / AMINO ACIDS / ENZYMES / CHROMOPHORIC BIOMOLECULES

77/W RAMAN SPECTRA OF PUTRESCINE, SPERMIDINE AND SPERMINE POLY-AMINES AND THEIR N-DEUTERATED AND N-IONISED DERIVATIVESA. M. Amorim da Costa, M. P. M. Marques and L. A. E. Batista de Carvalho

78/W FTIR AND FTR SPECTROSCOPIC STUDIES OF L-ASPARTIC ACID AND L-ASPARAGINEV. Arjunan, S. Periandy and S. Mohan

79/W HEATING OF PROTEIN SOLUTIONS RELATED TO RAMAN EXCITATION BY VISIBLE LASER LIGHTN. N. Brandt and A. Yu. Chikishev

80/W VIBRATIONAL AND STRUCTURAL ANALYSIS OF L-ALANYL-ALANINE IN WATERF. Eker and R. Schweitzer-Stenner

81/W COMPARATIVE STUDY OF POLARIZED RAMAN SPECTRA OF TAURINE AND DEUTERIATED TAURINE CRYSTALS

P. T. C. Freire, R. J. C. Lima, J. M. Sasaki, F. E. A. Melo, J. Mendes Filho and Derry W. Jones

82/W RESONANCE RAMAN STUDIES OF PEPTIDE-BASED HEME MODEL COMPOUNDSB. D. Howes, A. Lombardi, V. Pavone and G. Smulevich

83/W CHANGE OF THE IRON SPIN STATE IN HORSERADISH PEROXIDASE C BY THE REMOVAL OF THE STRUCTURAL CALCIUM ATOMS PROBED BY RESONANCE RAMAN SPECTROSCOPYQ. Huang, M. Laberge, J. Fidy and R. Schweitzer-Stenner

84/W RESONANCE RAMAN INVESTIGATION OF FERRIC M. TUBERCULOSIS CATALASE-PEROXIDASE KatG AND ITS ISONIAZID COMPLEXS. Kapetanaki, J. Schelvis, S. Chouchane, S. Girotto and R. S. Magliozzo

85/W RESONANCE RAMAN STUDIES OF PEROXY AND FERRYL INTERMEDIATES IN THE REACTION OF THE MIXED VALENCE CYTOCHROME C OXIDASE WITH OXYGENY. Kim, K. Oda, T. Ogura, K. Shinzawa-Itoh, S. Yoshikawa, and T. Kitagawa

86/W SECONDARY AND TERTIARY STRUCTURE OF HUMAN ACID α1–GLYCOPROTEIN BY HOMOLOGY MODELING AND VIBRATIONAL SPECTROSCOPY: TOPOGRAPHY OF THE HIGH-AFFINITY BINDING SITEV. Kopecký Jr., R. Ettrich, K. Hofbauerová, V. Baumruk, V. Karpenko

87/W INCREASED B2g HEME DISTORTIONS IN Ca+-FREE HORSERADISH PEROXIDASE MONITORED BY HIGH-T MOLECULAR DYNAMICS AND RAMAN DISPERSION EXPERIMENTSM. Laberge, Q. Huang, R. Schweitzer-Stenner, and J. Fidy

88/W SERRS INVESTIGATION OF LINKED MICROPEROXIDASE (MP8) TO BSA USED AS A STEREOSELECTIVE BIOCATALYSTS. Lecomte, H. Korri-Youssoufi, R. Ricoux and J. P. Mahy

89/W TEMPERATURE-DEPENDENT POLARIZED RAMAN SPECTRA OF DL-ALANINE CRYSTALSR. J. C. Lima, P. T. C. Freire, J. M. Sasaki, J. Mendes Filho and F. E. A. Melo

90/W CHARACTERIZATION OF HEME STRUCTURES OF FIVE HEMOGLOBIN MS BY RESONANCE RAMAN SPECTROSCOPYM. Nagai, Y. Jin, S. Nagatomo, and T. Kitagawa

91/W SPECTROSCOPIC DETERMINATION OF THE SECONDARY STRUCTURE IN PROLINE-CONTAINING POLYPEPTIDESR. Petry, H. Klump, D. Palm, J. Popp and W. Kiefer

92/W CHARACTERIZATION OF THE RECOMBINANT SYNECHOCYSTIS CATALASE-PEROXIDASE AND SELECTED DISTAL AND PROXIMAL MUTANTSE. Santoni, H. A. Heering, C. Indiani, G. Regelsberger, C. Jakopitsch, C. Obinger, and G. Smulevich

93/W S-CIS OR ALL-TRANS β-CAROTENE? A DENSITY FUNCTIONAL THEORY AND VIBRATIONAL SPECTROSCOPIC STUDYS. Schlücker, T. Siebert, A. Szeghalmi, M. Schmitt, J. Popp and W. Kiefer

94/W A RAMAN SPECTROSCOPIC STUDY OF THE ADSORPTION OF BIOLOGICALLY RELEVANT PROTEINS ON TITANIUM DIOXIDE NANOPARTICLESM. Schöller, A. Hauck, R. Thull, W. Kiefer and J. Popp

95/W DETERMINATION OF THE DIHEDRAL ANGLES OF TRIPEPTIDES IN SOLUTION BY FTIR AND VISIBLE POLARIZED RAMAN SPECTROSCOPY

R. Schweitzer-Stenner

96/W EFFECT OF THE INTRAHEME INTERACTIONS AND PROTEIN STRUCTURE AND DYNAMICS ON THE RESONANCE RAMAN AND OPTICAL ABSORPTION SPECTRA OF DEOXYHEME PROTEINSS. S. Stavrov

97/W MODEL PEPTIDES FOR SILK FIBROIN. A RAMAN STUDYP. Taddei and P. Monti

SECTION 18LIPIDS / BIO-MEMBRANES / NUCLEIC ACIDS / VIRUSES / CELLS / TISSUES

98/W INVESTIGATION OF MICROORGANISMS WITH DIFFERENT SURFACE ENHANCED RAMAN SUBSTRATESR. Geßner, B. Hanke, P. Rösch, W. Kiefer and J. Popp

99/W MAPPING OF SINGLE CELLS IN MICROMETER SCALE BY RAMAN SPECTROSCOPYC. Krafft, T. Knetschke, M. Knetschke, R. H. W. Funk and R. Salzer

100/W RAMAN STUDY OF POTENTIAL "ANTISENSE" DRUGS: HYBRIDISATION PROPERTIES OF OLIGO-THYMIDINES WITH MODIFIED INTERNUCLEOTIDE LINKAGED. Němeček, J. Štěpánek, P.-Y. Turpin

101/W DENSITY FUNCTIONAL STUDIES OF THE STRUCTURE AND VIBRATIONAL RAMAN SPECTRA OF FATTY ACID METHYL ESTERSR. E. Oakes, J. R. Beattie, S. E. J. Bell and B. W. Moss

102/W RAMAN SPECTROSCOPIC INVESTIGATION ON LIPID BODIES IN XYLEM ELEMENTSP. Rösch, H. Schneider, U. Zimmermann, W. Kiefer and J. Popp

103/W STRUCTURAL DETAILS OF THE DNA PRECIPITATION BY AN AMINOOXY ANALOGUE OF BIOGENIC POLYAMINE SPERMINEA. J. Ruiz-Chica, A. R. Khomutov, M. A. Medina, F. Sánchez-Jiménez and F. J. Ramírez,

104/W HOOGSTEEN PAIRING MARKERS IN POLARISED RAMAN SPECTRA OF CRYSTALLINE 9-METHYLADENINE: 1-METHYLTHYMINE COMPLEXK. Ruszová-Chmelová, J. Štěpánek, P.-Y. Turpin and J. Zachová

105/W PHASE TRANSITIONS IN OLEIC ACID AS STUDIED BY FT-RAMAN SPECTROSCOPYP. Tandon, G. Förster, R. Neubert, S. Wartewig

106/W CHARACTERIZATION OF EDIBLE OIL BY NEAR IR FOURIER TRANSFORM RAMAN SPECTROSCOPYI. Weung and W. Chen

SECTION 19ARTWORK / ARCHAEOLOGY / CONSERVATION SCIENCE

107/W PIGMENTS FROM BOWLS AND WALLS OF POMPEII

P. Baraldi, C. Fagnano, D.Scagliarini, A. Tinti, P. Taddei, P. Zannini

108/W ANALYSIS OF THREE GUTENBERG BIBLES USING RAMAN MICROSCOPYT. D. Chaplin, R. J. H. Clark, D. Jacobs, K. Jensen and G. D. Smith

109/W NATURAL HEMATITE OR HEATED GOETHITE: CAN RAMAN MICROSCOPY DIFFERENTIATE THEM?D. L. A. de Faria and F. N. Lopes

110/W WHERE DID THE CINNABAR FROM HEROD’S PALACE ORIGINATE?R. L. Frost, W. N. Martens, H. G. M. Edwards and J. T. Kloprogge

111/W RAMAN SPECTROSCOPY OF THE BASIC COPPER CARBONATES: AZURITE AND MALACHITEW. N. Martens, L. Rintoul, Z. Ding, R. L. Frost, J. T. Kloprogge

SECTION 20SURFACE / INTERFACIAL PHENOMENA

112/W NEAR FIELD RAMAN SPECTROSCOPY FOR THE STUDY OF THE INTERFACE BETWEEN TWO LIQUIDSM. De Serio, A. Bader, R. Zenobi and V. Deckert

113/W RAMAN SPECTROSCOPIC STUDIES OF ALKENE POLYMERISATION CATALYSTST. J. Dines and S. Inglis

114/W LOCAL SURFACE CHEMISTRY OBSERVED BY SURFACE-ENHANCED RAMAN SPECTROSCOPY. ADSORPTION OF CO ON AuA. Kudelski, B. Pettinger

115/W SERS STUDY OF 2-FORMYLPYRIDINE THIOSEMICARBAZONE (PATS2): ELUCIDATION OF THE REDUCTION MECHANISMM. M. B. Pessôa, G. F. S. Andrade, M. R. dos Santos, M. L. A. Temperini

116/W SURFACE-ENHANCED RAMAN SPECTROSCOPY AND ELECTROCHEMISTRY OF 2,2’-BIPYRIDYNE ON COPPERK. Zawada, J. Bukowska

SECTION 21INDUSTRIAL PROCESSES AND ENVIRONMENTAL APPLICATIONS

117/W AN ELECTRODYNAMIC MICROPARTICLE TRAPPING SYSTEM FOR RAMAN INVESTIGATIONS USING HIGH LASER POWERSC. Dem, W. Kiefer, M. Lankers and J. Popp

118/W APPLICATION OF SERS FOR IN-SITU DETECTION OF PAH IN SEA-WATERH. Schmidt, B. H. Nguyen and H.-D. Kronfeldt

SECTION 22APPLICATIONS OF RAMAN SPECTROSCOPYIN ANALYTICAL CHEMISTRY

119/W CALIBRATION OF SEVERAL ANTI-TUMOUR DRUGS IN PLASMA – A SELECTIVITY STUDYC. Eliasson, A. Lorén, M. Josefson, J. Abrahamsson, K. Abrahamsson

120/W ASSESSMENT OF SILVER AND GOLD SUBSTRATES FOR THE DETECTION OF AMPHETAMINE SULFATE BY SURFACE ENHANCED RAMAN SCATTERING (SERS)K. Faulds, W. E. Smith, D. Graham, and R. J. Lacey

121/W RAMAN SPECTROSCOPY OF SILYL SOL GEL PROCESSY.-S. Li and K. Le

122/W REPRODUCIBLE SURFACE ENHANCED RAMAN MEASUREMENTS IN POLYACRYLAMIDE GELSA. Lorén, C. Eliasson, M. Josefson, J. Abrahamsson, K. Abrahamsson

123/W DETERMINATION OF OIL CONTENT AND HUMIDITY IN OLIVES BY FOURIER TRANSFORM RAMAN SPECTROSCOPYB. Muik, M. J. Ayora Cañada, A. Molina Díaz, and B. Lendl

124/W QUANTITATIVE ANALYSIS OF HIGHLY FLUORESCENT MODEL PHARMACEUTICAL TABLETS USING PSEUDO SECOND DERIVATIVESA. O’Grady, D. Denvir, A. C. Dennis and S. E. J. Bell

125/W MAXIMIZING SAMPLING PRODUCTIVITY: A KEY TO EXPANDING THE USE OF RAMAN SPECTROSCOPY IN ANALYICAL SERVICE LABORATORIESF. Weesner and S. Lowry

SECTION 23MEDICAL (DIAGNOSTIC, IN VIVO) / BIOMEDICAL / PHARMACEUTICAL APPLICATIONS

126/W RAMAN SPECTRA OF SPICESB. Z. Chowdhry, R. Withnall and R. Alexander

127/W SYNTHESIS AND CHARACTERISATION OF THE COMPLEX OF Mn(II) WITH 4-CHLOROURACILV. K. Rastogi, R. P. Tanwar, M. Alcolea Palafox and R. Chandra

128/W POLYMORPHISM OF DRUGS AND SOFT TABLETING: A RAMAN SPECTROSCOPIC STUDYA. Schmidt, S. Wartewig and K. M. Picker

129/W RAMAN SPECTROSCOPIC CHARACTERISATION OF TETRACYCLINE DERIVATES AND THEIR METAL ION COMPLEXESS. Schneider, G. Brehm, M. Schmitt, C. Leypold, P. Matousek, M. Towrie

130/W RAPID DETECTION AND CLASSIFICATION OF MEDICINAL HERBS SCUTELLARIA BAICALENSIS GEORGI (HUANG QIN) BY FT-RAMAN SPECTROSCOPYQ. Zhou, S. Sun

SECTION 24APPLICATIONS IN MINERALOGY, GEOLOGY AND OTHER FIELDS

131/W VIBRATIONAL DYNAMICS IN WARDITE-TYPE MINERALSD. K. Breitinger, L. Hajba, V. Komlósi, J. Mink, G. Brehm, D. Colognesi,S. F. Parker, H. Schukow and R. G. Schwab

132/W FT-RAMAN STUDY OF BRAZILWOODSL. F. C. de Oliveira, H. G. M. Edwards, M. Nesbitt and E. S. Velozo

133/W ANTARCTIC DESERT HABITATS AS ANALOGUES FOR MARS: DETECTION OF BIOMOLECULESH. G. M. Edwards, D. D. Wynn-Williams, E. M. Newton and S. J. Little

134/W MINERALS FROM MACEDONIA VII. RAMAN SPECTRA OF SULFIDE MINERALS FROM THE ALLSHAR DEPOSITE (STIBNITE, REALGAR, ORPIMENT AND LORANDITE)G. Jovanovski, B. Minčeva-Šukarova, P. Makreski, B. Šoptrajanov, W. P. Griffith and R. L. Willis

135/W MINERALS FROM MACEDONIA VIII. RAMAN SPECTRA OF SOME SULFIDE MINERALS FROM THE LOCALITIES IN EASTERN MACEDONIAG. Jovanovski, B. Minčeva-Šukarova, P. Makreski, V. Stefov, W. P. Griffith and R. L. Willis

136/W RAMAN SPECTROSCOPY OF THE BASIC COPPER ARSENATES AND PHOSPHATESW. N. Martens, R. L. Frost, J. T. Kloprogge, and Peter A. Williams

137/W ISOMORPHIC SUBSTITUTION IN SOME BIOAPATITES: A RAMAN SPECTROSCOPIC ANALYSIST. N. Moroz, V. G. Kostrovskii and N. A. Palchik

138/W RAMAN SPECTRA AND STRUCTURAL ORDERING OF VESUVIANITESC. Paluszkiewicz, W. Żabiński

139/W IDENTIFICATION OF INKS AND TONERS FOR PRINTERS: A FORENSIC APPLICATION OF THE MICRO-RAMAN TECHNIQUES. Savioli, D. Bersani, P. P. Lottici and L. Garofano

140/W CHEMICAL REACTIONS IN ETHYLENE GLYCOL BASED CAPACITOR ELECTROLYTE STUDIED BY FT-RAMAN AND FT-IR SPECTROSCOPYI. Száraz, W. Forsling

141/W FT-RAMAN SPECTROSCOPY ON SIEGBURGITEW. Winkler and M. Musso

EXHIBITORS

AABSPEC International Ltd.Old Parish, Dungarvan, Waterford, Ireland (353) 584-6048 (353) 584-6047

Jasco International Co. Ltd.4-21, Sennin-cho 2 chomeHachioji, Tokyo 193-0835, Japan (81) 426-661322 (81) 426-656512

BioTools, Inc.950 North Rand Road, Unit 123, Wauconda, Illionis 60084, USA (1) 847-487-5500 (1) 847-487-5544

Bruker Optic GmbHRudolf-Plank-Str. 23D-76275, Ettlingen, Germany (49) 7243-504-645 (49) 7243-504-698

Digilab LLC68 Mazzeo DriveRandolph, Massachusetts 02368, USA (1) 800-225-1248 (1) 781-794-6400

Jobin Yvon S.A.231, Rue de Lille59650 Villeneuve d’Ascq, France (33) 3-2059-1800 (33) 3-2059-1808

John Wiley& Sons, Ltd.Baffins Lane, Chichester, Sussex, PO19 1UD, United Kingdom (44) 1243-770-259 (44) 1243-770-154

Renishaw plcOld Town, Old Town, Wotton-under-Edge, Gloucestershire GL12 7DW, UK (44) 1453-523-840 (44) 1453-844-236

Springer-Verlag GmbH & Co. KGTiergartenstr. 17D-69121 Heidelberg, Germany (49) 6221-487-8993 (49) 6221-487-8916

Thermo Nicolet Co.5225 Verona Road, Bldg 5Madison, WI 53711, USA (1) 608-276-6100 (1) 608-273-5046

LATE ABSTRACTS

CONTENTS

SECTION 1THEORETICAL ADVANCES IN RAMAN SCATTERING: VIBRATIONAL ANALYSIS / MOLECULAR DYNAMICS AND STRUCTURE / BAND SHAPE / BAND INTENSITYVIBRATIONAL ANALYSIS OF BENZALDEHYDE: RAMAN SPECTRA AND DFT CALCULATIONSZ Meić, T. Hrenar, R. Mitrić and G. Keresztury......................................................... 49

SECTION 3INSTRUMENTATION / ADVANCED TECHNIQUES / NEAR FIELD / MICRO RAMAN / IMAGING AND MAPPING / 2D RAMAN SPECTROSCOPY 2-D STOICHIOMETRY DETERMINATION BY OMA RAMAN IMAGINGR.A.L. Tolboom, N.M. Sijtsema, J.M. Mooij, J.D.M. Maassen, N.J. Dam and J.J. ter Meulen*........................................................................................................................ 53

SECTION 5SURFACE ENHANCED SCATTERING DEVELOPMENT AND CHARACTERIZATION OF SERS-ACTIVE SUBSTRATES FOR NEAR-FIELD RAMAN SPECTROSCOPYJ. Grand, J.-L. Bijeon, M. Lamy de la Chapelle, P.-M. Adam, S. Kostcheev, A. Rumyantseva, P. Royer................................................................................................ 57

ON-LINE MONITORING OF AIRBORNE CHEMISTRY IN LEVITATED DROPLETS: IN-SITU SYNTHESIS AND APPLICATION OF SERS ACTIVE Ag-SOLS FOR TRACE ANALYSIS BY RAMAN SPECTROMETRYB. Lendl, N. Leopold, M. Haberkorn, T. Laurell and J.s Nielson ............................... 59

HYDROXYLAMINE REDUCED SILVER COLLOID: A NEW SUBSTRATE FOR SURFACE-ENHANCED RAMAN SCATTERINGN. Leopold, B. Lendl*................................................................................................... 61

SECTION 6NON-LINEAR EFFECTS / CARS / RIKES TIME-RESOLVED RESONANCE COHERENT ANTI-STOKES RAMAN SPECTROSCOPY INVESTIGATIONS: STRUCTURAL DYNAMICS OF PHOTO-ACTIVE PROTEINSL. J. Ujj, A. C. Terentis, and G. H. Atkinson .............................................................. 65

SECTION 7RESONANCE RAMAN SPECTROSCOPY UV RESONANCE RAMAN SCATTERING OF FULLERENESE. A. Carter*, S. H. Gallagher, R. S. Armstrong, P. A. Lay, P. Paul and C. A. Reed ................................................................................................................ 69

SECTION 10ADVANCED MATERIALS: FULLERENE AND CARBON NANOTUBES / DIAMOND / SUPER-HARD MATERIALS / OTHER NANOSCALE MATERIALS AND OTHER NEW MATERIALSCHARACTERIZATION OF GaP AND TiO2 NANOWIRES BY RAMAN SPECTROSCOPYM. Lamy de la Chapelle, H. X. Han, G. H. Li, C. C. Tang, C. Wang, Y. D. Li and S. S. Fan............................................................................................................................... 73

SECTION 13THE SOLID STATE: NON-CRYSTALLINE MATERIALS / MOLECULAR CRYSTALS / PHASE TRANSITIONS / OTHERS REVERSIBLE PHASE TRANSITION IN Zn2(O,O-DICYCLOHEXYL DITHIOPHOSPHATE)4, STUDIED BY RAMAN SPECTROSCOPY AND COMPARED WITH NMR RESLULTSM. L. Larsson*, A. Holmgren, and W. Forsling ......................................................... 77

IRRADIATION-INDUCED DISORDERING OF GRAPHITE AND RAMAN SPECTRAK. Niwase .................................................................................................................... 79

SECTION 17PROTEINS / PEPTIDES / AMINO ACIDS / ENZYMES / CHROMOPHORIC BIOMOLECULES SECONDARY AND TERTIARY STRUCTURE OF HUMAN ACID 1–GLYCOPROTEIN BY HOMOLOGY MODELING AND VIBRATIONAL SPECTROSCOPY: TOPOGRAPHY OF THE HIGH-AFFINITY BINDING SITEV. Kopecký Jr.*, R. Ettrich, K. Hofbauerová, V. Baumruk, V. Karpenko.................... 83

SECTION 20SURFACE / INTERFACIAL PHENOMENA LOCAL SURFACE CHEMISTRY OBSERVED BY SURFACE-ENHANCED RAMAN SPECTROSCOPY. ADSORPTION OF CO ON AuA. Kudelski*, B. Pettinger............................................................................................ 87

SECTION 1THEORETICAL ADVANCES IN RAMAN SCATTERING: VIBRATIONAL

ANALYSIS / MOLECULAR DYNAMICS AND STRUCTURE / BAND SHAPE / BAND INTENSITY

VIBRATIONAL ANALYSIS OF BENZALDEHYDE: RAMAN SPECTRA AND DFT CALCULATIONS

Z. Meić1, T. Hrenar1, R. Mitrić2 and G. Keresztury3

1Faculty of Science, University of Zagreb, Strossmayerov trg 14, HR-10000 Zagreb, Croatia; e-mail: zmeic@rudjer.irb.hr2Humboldt Universität zu Berlin, Institut für Chemie, Brook-Taylor-Str. 2, D-12489 Berlin, Germany3Chemical Research Center, Hungarian Acad. Sci., P.O. Box 17, H-1525 Budapest, Hungary; e-mail: kergabor@chemres.hu

An accurate prediction of vibrational spectra present one of the most demanding tests for potential energy surface, which is also a test for the electronic structure method of the calculation. In this study, two electron correlation functionals, namely B3LYP and B3PW91, were tested by performing calculations of vibrational wavenumbers and vibrational dynamics for benzaldehyde (BA). Two basis sets, i.e. 6-31G* and 6-311+G**, were used.

Benzaldehyde is a proper molecule for this kind of testing due to its size and availability of experimental data for several deuterated isotopomers. The small number of atoms allows one to perform a fast and reliable calculation which than can be compared with the experimental results.

The influence of chosen functionals and quality of basis sets on the obtained results will be presented and discussed. Vibrational patterns of some characteristic modes including Raman intensities will be compared with experimental results.

SECTION 3INSTRUMENTATION / ADVANCED TECHNIQUES / NEAR FIELD / MICRO

RAMAN / IMAGING AND MAPPING / 2D RAMAN SPECTROSCOPY

2-D STOICHIOMETRY DETERMINATION BY OMA RAMAN IMAGING

R.A.L. Tolboom1, N.M. Sijtsema1, J.M. Mooij2, J.D.M. Maassen2, N.J. Dam1 and J.J. ter Meulen1*

1Applied Physics / 2Mathematical Institute, University of NijmegenToernooiveld 1, 6525 ED Nijmegen, The Netherlands, htmeulen@sci.kun.nl

The stoichiometry of a combustible gas mixture is a measure for the amount of fuel and oxydiser present. It is an important number in, amongst others, gas transportation to track whether or not the mixture is close to the explosion limit, and in combustion processes, where it prescribes the reaction path followed. Therefore, it is worth an accurate measurement.

When using Raman scattered light off molecules, we are able to detect 2-D partial density distributions from methane and nitrogen. Unfortunately, there is a spectral overlap of the 2(e) Raman-band of methane with the oxygen Raman-band, causing an ambiguity in the signal detected around that wavelength, asshown in Fig 1. The spectrum indicates that Raman scattering allows for the distinction between nitrogen and methane, and from scattering theory, it is known that the Raman scattering intensity depends on partial density only.

Fig 1. Spectra of pure methane and of ambient air. Both spectra were obtained for 355 nm illumination recorded through the imaging spectrograph with a 1200 gr/mm grating when operated with a narrow

entrance slit. The methane spectrum is an average of 125 laser pulses and the ambient air spectrum of 1500 laser pulses. Both spectra are averaged over 20 strips.

There are (at least) two ways to detect the Raman scattered light. Firstly, two separate cameras, each of which is equipped with the right transmission filter, record the Raman scattered light off methane and nitrogen separately. This set-up suffers from potential problems in triggering and imaging exactly the same measurement area. Secondly, an Optical Multi-channel Analyser (a composite apparatus of an imaging spectrograph and a camera) can be used to record the methane and nitrogen distributions simultaneously. Now, the issue is the interpretation of the data as the OMA mixes up spatial and spectral information.

An analysis shows that the entangling can be described by a convolution of the spatial distribution with the spectral profile, if it is assumed that every point in the entrance slit has the same spectral profile (the intensity may vary!). This deconvolution can be solved for the spatial distribution via Fourier transformations. However, this results in noisy images in which the “signal” drowns. This is depicted in Fig 2 in the second picture from the right for the case of a grid illuminated with two spectral lines of an Hg(Ar) calibration pencil. However, interpreting the data as stochastic variables and applying a filter to them, based on Bayesian statistics the deconvolution turns into the right most picture.

Turning our attention towards stoichiometries again, a deconvolution of the complex methane structure and the easier nitrogen structure give stoichiometry determinations within 10% of the preset mixing ratio for three different flows. The Raman images were taken on a pre-mixed methane / dry air flow that was burnt downstream of the measurement area. They consisted of 625 laser shots.

Fig 2. The 1-D spectrum (left most) that illuminates a regular spatial grid. On opening the entrance slit of the spectrograph, each of the two lines forms an

image of the grid, and these images overlap (second from left). When deconvolving the measurement, the second image from the right results, being the purely spatial reconstruction of the grid. It is very noisy, whereas a filtered

version (right most) clearly shows the grid.

SECTION 5SURFACE ENHANCED SCATTERING

DEVELOPMENT AND CHARACTERIZATION OF SERS-ACTIVE SUBSTRATES FOR NEAR-FIELD RAMAN SPECTROSCOPY

J. Grand, Je.-L. Bijeon, M. Lamy de la Chapelle, P.-M. Adam, S. Kostcheev, A. Rumyantseva, P. Royer

Laboratoire de Nanotechnologie et d’Instrumentation Optique, Université de Technologie de Troyes,12 rue Marie Curie, BP 2060, 10010 Troyes cedex, France

Our aim is to develop a Near-Field Raman Spectrometer by coupling a micro-Raman system to an Apertureless-Scanning Near Field Optical Microscope (A-SNOM). With such a set-up we can expect to record a Raman spectrum with a ~10 nm lateral resolution. The main issues to face in this kind of experiment is the weakness of Raman scattering (small cross-section and low concentration). To cope with this problem, we choose to study SERS (Surface Enhanced Raman Scattering) - active substrates as a first step towards Near-Field Raman.

Several effects are known to give rise to this enhancement of Raman signal. Localized surface plasmon turned out to play a great part in Surface Enhanced Raman Scattering ; we thereby focused our study on this mechanism of SERS.

In this presentation we will show the fabrication process of two types of substrates: Evaporated metal-island films (Au, Ag) followed by post-evaporation

annealing to modify the shape and the environment of particles. Electron Beam Lithography patterns which allow a better tuning of localized

surface plasmon resonance to a specific wavelength.

These samples are then characterized optically by extinction spectroscopy while topography is controlled with AFM and SEM. This study should lead to a better control and understanding of SERS-active substrates, thus optimising the signal needed for near-field experiment.

ON-LINE MONITORING OF AIRBORNE CHEMISTRY IN LEVITATED DROPLETS: IN-SITU SYNTHESIS AND APPLICATION OF SERS ACTIVE Ag-SOLS FOR TRACE ANALYSIS BY RAMAN SPECTROMETRY

B. Lendl1, N. Leopold1, M. Haberkorn1, T. Laurell2 and J. Nielson2

1 Institute of Chemical Technologies and Analytics, VUT, Vienna, Austria, Email: blendl@mail.zserv.tuwien.ac.at2 Department of Electrical Measurements, Lund University P.O. Box 118, S-221 00 Lund, Sweden

A flow-through microdispenser [1] coupled to a sequential injection system was combined with a ultrasonic trap and a FT Raman spectrometer (Fig. 1). With the experimental set-up well-defined amounts of sample could be sequentially delivered and trapped by the levitator exactly in the focus of the collector objective of the FT-Raman spectrometer. In this way it was possible to generate a single levitated droplet and to add in portions of 50 pL aqueous silvernitrate followed by hydroxylamine. In doing so chemical reduction of the silver occurred in the levitated drop thus yielding silver sol, which served as an airborne substrate for performing surface enhanced Raman (SERS) spectrometry. After generation of the SERS active substrate the analyte was added again using the flow through microdispenser. As analytes, amino-acridine, acridine, mercaptopurine, have been studied showing that sensitivities in the range from 10 -11 to 10-

6 M could be achieved (Fig. 2).

The presented experimental set-up is advantageous for several reasons. Airborne SERS substrate generation and application presents a true advantage for performing SERS analysis as for every analysis a new, freshly prepared SERS substrate is available without facing disturbing wall effects. This assures constant activity of the silver sols and avoids carry over which are frequently observed when dealing with standard SERS active surfaces such as electrodes or Ag-sols in conduits. Because of the highly sensitive SERS substrate and the low volume of the levitated droplets limits of detection in the femtogram region could be achieved.

The experimental set-up benefits form the high reproducibility of liquid dispensing as well as of the flow through characteristics of used microdispensers. On base of the obtained results other application in reaction monitoring on the nL-liter scale can be foreseen.

1[?] T. Laurell, L. Wallman, J. Nilsson, J. Micromech. Microeng. 1999, 9, 369.

Figure 1: Experimental set-up comprising a flow-through microdispenser coupled to an automated flow system, an ultrasonic levitator and a Fourier transform Raman spectrometer

Figure 2: Surface enhanced Raman spectra of aminoacridine measured in single levitated droplets (diameter ~ 500µm).

HYDROXYLAMINE REDUCED SILVER COLLOID: A NEW SUBSTRATE FOR SURFACE-ENHANCED RAMAN SCATTERING

N. Leopold1,2, B. Lendl1*

1Institut für Chemische Technologie und Analytik, Technische Universität Wien, Getreidemarkt 9-164/AC, A-1060 Wien, Austria; blendl@mail.zserv.tuwien.ac.at 2Universitatea Babes-Bolyai, Facultatea de Fizica, Kogalniceanu 1, 3400 Cluj-Napoca, Romania

The possibility of utilizing colloidal dispersions of Ag or Au in aqueous solutions as as substrates for enhancing Raman scattering was first demonstrated by Creighton and co-workers in 1979 [1]. For Surface-enhanced Raman Scattering (SERS) experiments, most frequently silver colloids are used that produced by reduction of silver nitrate with sodium citrate, the so called Lee-Meisel [2] method or by reduction of silver nitrate with sodium borohydride following the Creighton [1] procedure. Different Ag+ reducing methods have been reported too [3]. Despite the apparent simplicity of the published procedures for preparing sols, the preparation of highly active SERS colloids is not routine.

Here we report a new simple and easy method for preparing stable, highly SERS-active silver colloids by reduction of silver nitrate with hydroxylamine at room temperature. Hydroxylamine as reducing agent is widely known [4, 5] but its use for producing silver colloids for SERS has not been reported yet.

The reducing agent is available as hydroxylamine hydrochloride. During the reduction reaction protons are released. Therefore, to compensate the acidity NaOH was added to the reaction mixture. To find the optimum conditions for preparation of highly SERS-active silver colloids, sequence of mixing, mixing rate and temperature were studied. Best results in terms of sensitivity have been obtained with the following protocol: 0.017 g silver nitrate are dissolved in 90 ml distilled water. 0.021 g of hydroxylamine hydrochloride are dissolved in 5 ml distilled water to which 4.5 ml of 0.1 M sodium hydroxide are added. This mixture is then rapidly added to the silver nitrate solution. Within a few seconds a brownish solution with the extinction maximum at ~412 nm and a FWHM of ~115 nm is obtained, that was found to be stable for more than 90 days. The extinction spectrum of the hydroxylamine reduced silver sol is shown in Fig. 1.

FT-SERS spectra were recorded in backscattering geometry, using a 2 ml cuvette, with a Bruker IFA 106 Raman accessory attached to a Bruker IFS 66 FT-IR spectrometer equipped with a liquid nitrogen cooled Ge detector. The 1064 nm Nd:Yag laser was used as excitation source and the laser power was set to 200 mW. The FT-SERS spectra were recorded with a resolution of 8 cm-1 by co-adding 32 scans each.

Fig.1. Extinction spectrum of thehydroxylamine reduced silver sol.

Before adding the analyte, the silver sols were activated with 70 µl 0.4 M NaCl to a final concentration of 2x10-2 M. Fig. 2 presents the FT-SERS spectra of 9-aminoacridine using as SERS substrates the Lee-Meisel and the hydroxylamine reduced silver colloid. The final concentration of 9-aminoacridine was in each colloid 4x10-7

M. No significant differences can be found between the two spectra. Experiments with other analytes (not shown here) yielded similar results. Consequently we conclude that the colloid properties are comparable with those produced

Fig.2. SERS spectra of 4x10-7 M9-aminoacridine adsorbed on (A) Lee-Meisel, (B) hydroxylamine reduced silver colloid.

by the Lee-Meisel method. The advantages are fast and easy preparation at room temperature, a high reproducibility and preparation success rate. These features also allow in-situ synthesis of the colloid and employment in on-line measurements. We therefore consider the hydroxylamine reduced silver colloid as a highly sensitive, easy preparable SERS substrate for a variety of different promising applications.

1. J. A. Creighton, C. G. Blatchford, M. G. Albrecht, J. Chem. Soc., Faraday Trans. 2, 75, 790, (1979).2. P. C. Lee, D. Meisel, J. Phys. Chem., 86, 3391, (1982).3. K. Kneipp, H. Kneipp, I. Itzkan, R. R. Dasari, M. S. Feld, Chem. Rev., 99, 2957, (1999).4. J. Turkevich, P. C. Stevenson, J. Hillier, Disc. Faraday Soc., 11, 55, (1951).5. K. R. Brown, D. G. Walter, M. J. Natan, Chem. Mater., 12, 306, (2000).

SECTION 6NON-LINEAR EFFECTS / CARS / RIKES

TIME-RESOLVED RESONANCE COHERENT ANTI-STOKES RAMAN SPECTROSCOPY INVESTIGATIONS: STRUCTURAL DYNAMICS OF PHOTO-ACTIVE PROTEINS

L. J. Ujj, A. C. Terentis, and G. H. Atkinson

Department of Physics, University of West Florida, Pensacola, FL 32514 Department of Chemistry and Optical Sciences Center, University of Arizona, Tucson, AZ 85721

Picosecond time-resolved resonance coherent Raman spectroscopy (PTR/CARS) has become a valuable experimental methodology for measuring vibrational spectra of reactive intermediates that comprise biochemically important photoreactions [1]. These vibrational spectra provide direct information on the structural (configuration and conformation) changes that underlie biochemical reactivity. PTR/CARS methods have been used to record vibrational spectra from intermediates having lifetimes that range from picoseconds to microseconds [1-5]. The experimental instrumentation and methodologies developed to record the changes in vibrational spectra (i.e., structural changes) within photoactive proteins at room temperature as a function of time delay will be discussed.

Specifically, the multiplex CARS methodology, using five laser beams to initiate the photoreactions and to generate coherent Raman scattering from the biochemical sample and from the solvent (reference sample) is described in detail. The third-order susceptibility ((3)) analysis of the resultant CARS data and the quantitative treatment of the instrumental response also are discussed. Attention is given to the electronic resonance enhancement of the Raman scattering which is used to selectively measure vibrational spectra from multi-component samples containing both transient and static species [2,4,5]. The surprising results of the vibrational structure of artificial bacteriorhodopsin BR6.11 intermediates will be presented for the first time.

REFERENCES

1. Laszlo Ujj and George H. Atkinson, Coherent Anti-Stokes Raman Spectroscopy, inHandbook of Vibrational Spectroscopy, John Wiley & Sons., Ltd., January (2002).

2. G. H. Atkinson,Y. Zhou, L. Ujj, A. Aharoni,M. Sheves,and M. Ottolenghi, Dynamics and Retinal Structural Changes in the Photocycle of the Artificial Bacteriorhodopsin Pigment BR6.9, J. Phys. Chem. A, 106, 3325-3336 (2002)3. Y. Zhou, L. Ujj, T. E. Meyer, M. A. Cusanovich, G. H. Atkinson, Photocycle Dynamics and Vibrational Spectroscopy of the E46Q Mutant of Photoactive Yellow Protein,

J. Phys. Chem. A, A 105, 23, 5719-5726 (2001). 4. L. UJJ, Y. Zhou, M. Sheves, M. Ottolenghi, and G. H. Atkinson, Vibrational Spectrum of a J-Like Bacteriorhodopsin Intermediate: Picosecond Time-resolved CARS of T5.12 in the Artificial BR5.12 Photo-reaction, J. Am. Chem. Soc., 122, 1, 96-106 (2000). 5. G. H Atkinson, L. Ujj, and Y. Zhou, Vibrational Spectrum of the J-625 Intermediate in the Room Temperature Bacteriorhodopsin Photocycle, J. Phys. Chem. A, 104, 18, 4130- 4139 (2000).

SECTION 7RESONANCE RAMAN SPECTROSCOPY

UV RESONANCE RAMAN SCATTERING OF FULLERENES

E. A. Carter1*, S. H. Gallagher1, R. S. Armstrong1, P. A. Lay1, P. Paul2 and C. A. Reed2

1 School of Chemistry, University of Sydney, Sydney, NSW, 2006, Australia; E-Mail: e.carter@chem.usyd.edu.au2 Department of Chemistry, University of California, Riverside, California, 92521-0403, United States of America; E-Mail: chris.reed@ucr.edu

While a significant amount of research reported in the literature has focussed on the HOMO-LUMO gap of fullerenes, e.g., UV-Vis, electrochemistry, resonance Raman (RR), much less attention has been given to the nature of higher energy electronic transitions. In comparison, the first allowed electronic transitions of C60 and C70 are only weakly dipole-allowed whereas the electronic transitions below 400 nm are generally strongly dipole-allowed.

Work performed in this laboratory [1,2] has confirmed that vibronic coupling is the most important consideration in the intensity enhancement for Raman bands – in particular the bands due to non-totally symmetric modes – when the laser excitation is in resonance with these lower energy, weakly-allowed transitions. Given the connectivity of the cage structure of fullerenes and the high level of degeneracy of the electronic and vibrational levels, the question is posed, is vibronic coupling a significant consideration in the intensity enhancement of Raman bands at UV excitation?

Experimentally, fullerenes (solid) are prone to photo-transformation when irradiated with high laser flux. While there are other complicating factors, such as the presence of oxygen [3], we have previously been able to show for visible laser lines that the integrity of the fullerene sample can be maintained with a judicious choice of laser power combined with a custom-built spinning cell [4].

The aims of this current work are (A) to obtain reproducible RR spectra of C60 and C70 with UV excitation (325 nm) without photodegradation and (B) to better understand RR scattering mechanisms of fullerenes at these higher energies.

Our work shows that the RR experiment for pure C60 using 325nm excitation results in a spectrum that differs markedly from that reported in the literature for 257nm excitation [5]. In our experience, the difference in the previously reported results are due, in part, to photo-induced changes that have occurred in the C60 sample.

Phototransformation of C60 is reported to occur in the visible and ultraviolet regions when light is incident on thin solid films at a moderate optical flux (>5 W/cm2) [6]. Quenching of the intensity of the band due to the Ag(2) mode at 1469 cm1 and the appearance of a new band at 1458 cm1 are two of the characteristic spectral changes used to monitor the condition of the sample.

Various techniques have been employed in this study to overcome polymerisation and/or photodegradation, the most effective being a combination of reduced irradiance (i.e., optical flux W/cm2) and a custom-built spinning stage as demonstrated by the spectra shown in Figure 1. Also of note are the high irradiances that were used in this work – much higher than those reported in the literature.

Fig. 1. Raman spectra of C60 obtained with 325nm excitation. A: Sample in spinning cell. S/N: 68, irradiance = 190986 W/cm2, collection time of 2 min 30 sec. B: Sample in KBr matrix. S/N: 20,

irradiance = 19098 W/cm2, collection time of 14 min.

Interestingly in both the RR spectra of C60 and C70, the appearance of bands due to non-totally symmetric modes implies that vibronic coupling is important for these higher energy transitions of fullerenes. However, for C70 at UV excitation, there are more bands present due to totally symmetric modes relative to those due to non-totally symmetric modes compared with the visible RR experiment [1,2]. This suggests that A-term scattering may be a significant mechanism in the RR band intensity for the resonant electronic transition of higher energy.

S. H. Gallagher, R. S Armstrong, W. A. Clucas, P. A. Lay, and C. A Reed, J. Phys. Chem., 101, 2960-2968 (1997).S. H. Gallagher, R. S Armstrong, P. A. Lay, and C. A Reed, J. Am. Chem. Soc., 119, 4263-4271 (1997).P. Paul, R. D. Bolskar, A. M. Clark and C. A. Reed, Chem. Commun., 14, 1229, (2000).E. A. Carter, R. S. Armstrong, P. A. Lay, P. Paul, C. A. Reed, 4th Australian Conference on Vibrational Spectroscopy, Brisbane, Australia, 2001.T. R. Ravindran, B. R. Jackson and J. V. Badding, Chem Mater., 13, 4187-4191 (2001).

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M. S. Dresselhaus, G. Dresselhaus and P. C. Eklund, J. Raman Spectrosc. 27, 351 (1996).

SECTION 10ADVANCED MATERIALS: FULLERENE AND CARBON NANOTUBES /

DIAMOND / SUPER-HARD MATERIALS /OTHER NANOSCALE MATERIALS AND OTHER NEW MATERIALS

CHARACTERIZATION OF GaP AND TiO2 NANOWIRES BY RAMAN SPECTROSCOPY

M. Lamy de la Chapelle1, H. X. Han2, G. H. Li2, C. C. Tang3, C. Wang4, Y. D. Li4 and S. S. Fan3

1Laboratoire de nanotechnologie et instrumentation optique, Université de Technologique de Troyes, 12 rue Marie Curie, BP 2060, 10010 Troyes cedex, France2National Laboratory for superlattices and microstructures, Institute of semiconductor, Chinese Academy of Sciences, 100083 Beijing, China3Nanostructures laboratory, Department of Physics, Tsinghua University, 100084 Beijing, China4Chemistry Department, Tsinghua University, 100084 Beijing, China

We have performed Raman studies on GaP and TiO2 nanowires produced in large quantity by chemical way. By comparing the Raman spectra obtained for nanowires with those of bulk materials, microcrystals and nanoparticles, we have been able to determine some specific vibrational properties as their one-dimensional character and size effect. In this latter case, we give evidence of confinement effect on optical modes as well as on acoustic ones.

SECTION 13THE SOLID STATE: NON-CRYSTALLINE MATERIALS /

MOLECULAR CRYSTALS / PHASE TRANSITIONS /OTHERS

REVERSIBLE PHASE TRANSITION IN Zn2(O,O-DICYCLOHEXYL DITHIOPHOSPHATE)4, STUDIED BY RAMAN SPECTROSCOPY AND COMPARED WITH NMR RESLULTS

M. L. Larsson*, A. Holmgren, and W. Forsling

Luleå University of Technolgy, SE 971 87 Luleå, Sweden, e-mail: Margareta.Larsson@km.luth.se

Organic dithiophosphates (DTP) are used as collector agent in the flotation-process of sulphide minerals. There are several types of applications where metal dithiophosphates are used, e g Zincdithiophosphates (ZnDTP, Zn2DTP4) are used as an additive to lubricating oil. Although dithiophosphates are frequently used, only little attention has been paid to an understanding of their properties on the molecular level. However, there are some IR-studies of the adsorption of dithiophosphates on different kinds of surfaces, e g ZnS [1] and gold [2]. Moreover, the complexes of metal dithiophosphates are shown to have a rich variety of composition and structure [3], which also make them very interesting. The structure, vibrations and force field of dithiophosphates has also been discussed by S. Jiang et al [4].

The ultimate reason to the present study, was the observation during solid state 31P NMR study of Zn2(O,O-dicyclohexyl DTP)4 that the number of phosphorous signals was depending on the temperature of the sample and that the temperature dependence was a reversible process. Some kind of phase transition took place when the temperature was raised from 25C to 45-50C, and this rendered a change in the NMR-spectrum (two phosphorous signals at 25C, and four phosphorous signals at 45-50C). Our objective was to gain complementary information about these phase transitions from the interpretation of IR and Raman spectra.

Zn2(O,O-dicyclohexyl DTP)4 was prepared by reacting zinc chloride with Na(O,O-dicyclohexyl DTP) in aqueous solution and by subsequent recrystallization from anhydrous ethanol. IR (Bruker IFS 113V) and Raman (Renishaw 2000 Raman microprobe system, 632 nm) spectra were recorded on the solid obtained before as well as after recrystallization, in the temperature range 25 - 60C.

The IR spectra of the samples before and after recrystallization showed no differences. According to IR spectra there is some water coordinated, especially in the sample that was not recrystallized. The water evaporated when the temperature was raised, but no other changes in IR spectra could be seen. In Fig 1 the Raman spectra of the two samples are shown. There are some changes with temperature in the spectra of the sample that was recrystallized, when raising the temperature. The intensity of the peak at 1022 cm-1is reduced and the intensity of the peak at 1031 cm-1is increased with increasing temperature. The peak intensity at 800 cm-1 decreases with temperature is missing in the spectrum obtained at high temperature, and a new peak appears at 433 cm-1. This is a clear indication of a conformational change of the complex. When the

sample is cooled to room temperature the spectrum regain its original feature. The spectrum of the recrystallized sample at higher temperature almost resembles the spectrum of the sample obtained from water solution. There were no changes in the spectra of the sample obtained from water when raising the temperature.

The structure of Zn2(O,O-dicyclohexyl DTP)4 is known [5]. There are two terminal DTP ligands coordinated to zinc in the bidentate manner to form two planar four-member chelate rings. The neighbouring zinc atoms are linked through the two bridging DTP-ligands to form a dimer. This leads to the formation of a eight-member ring (Zn-S-P-S-Zn-S-P-S) in the boat conformation, having a two-fold symmetry axis. The dimer will have D2 symmetry. The two phosphorous signals from NMR spectrum have been interpreted as, one for the bridging ligands and one for the two terminal ligands. When there are four phosphorous signals the interpretation is that the conformation of the eight-member ring change so that the equivalence of the two bridging and the two terminal ligands are broken. A change in conformation of the recrystallized sample at higher temperature is in accordance with our observation based on Raman spectra. However, because of the reduced intensity of the 800 and the 1022 cm-1 lines it seems likely that the conformational change is localized to the hexyl ring and the P-O-C entity.

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Fig 1. Raman spektrum of Zn2(O,O-dicyclohexylDTP)4, (A) recrystallized, measured at 40C, (B)recrystallized, measured at 55C, and (C) not recrystallized, measured at 40C.

M. L. Larsson, A. Holmgren, and W. Forsling, JCIS, 242, 25, (2001)Persson, N-O., Uvdal, K., Almquist, O., Engquist, I., Kariis, H., and Liedberg, B. Langmuir, 15, 8161, (1999).I. Haiduc, D. B. Sowerby, and S-F. Lu, Polyhedron, Vol 14, 23, 3389, (1995).S. Jiang, S. Dasgupta, M. Blanco, R. Frazier, S. Yamaguchi, Y. Tang, and W. A. Goddard, J. Phys. Chem., 100, 15760, (1996).A. V. Ivanov, W. Forsling, M. Kritikos, O. N. Anzutkin, A-C. Larsson, F. A. Zhukov, and Z. F. Yusupov, Doklady Chemistry, 375, 236, (2000).

IRRADIATION-INDUCED DISORDERING OF GRAPHITE AND RAMAN SPECTRA

K. Niwase

Department of Physics, Hyogo University of Teacher Education, Yashiro, Hyogo 673-1494, Japan niwase@sci.hyogo-u.ac.jp

Graphite is one of interesting materials for Raman spectroscopy. From a remarkable broadening of the Raman spectra [1] and the appearance of the halo pattern in the transmission electron microscope (TEM) diffraction pattern observed along the c-axis [2], it has been reported that disordering of graphite occurs under high-energy particle irradiation. In this paper, we will briefly review our experimental and theoretical works on the change of Raman spectra under irradiation.

We irradiated highly oriented pyrolytic graphite (HOPG) foils with 25 keV He+ at temperatures ranging from room temperature (RT) to 973 K. The specimens were examined by means of Raman spectroscopy and transmission electron microscopy (TEM) [2,3]. After irradiation, a new peak appears around 1355 cm-1 (D peak) in addition to the original graphite peak around 1580 cm-1 (G peak). The diffraction pattern observed along the c axis by TEM for each specimen are classified into three patterns of spot, halo and spot, and halo, which are referred as s, hs, and h, respectively hereafter. The Raman spectral change closely correlates with the TEM diffraction change. The onset and the completion of amorphization corresponds to a remarkable increase of the two main Raman peaks and a complete overlapping of the two peaks, respectively. Increasing the irradiation temperature is seen to delay of the onset of the amorphization. The Raman spectra are deconvoluted into several characteristic peaks with a least-squares algorithm.

A difference can be clearly observed between the changes of the intensity ratio of the two peak, ID/IG, and the full width at half maximum of the G peak. Below 473 K, the ID/IG is already larger than 1 at the initial stage of irradiation. After reaching a maximum, it gradually decreases and levels off at a value of 0.9. Above 573 K, the ID/IG increases steadily and levels off at 0.9. The amorphization corresponds to the dose range where the ID/IG levels off. On the other hand, the FWHM of the G peak gradually increases at the initial stage, but it increases dramatically when amorphization starts. Thus the change of the FWHM more closely correlates with the amorphization process than that of the ID/IG. Linear relationships between the FWHM and the dose can be seen at each irradiation temperature, but the increase rate decreases with increasing irradiation temperature. A significant reduction of the increase rate can be found between 573 and 673 K. Three linear relations are seen in the relation between the FWHM and ID/IG under 25 keV He+ irradiation and they correspond to the appearance of the TEM diffraction pattern of s, hs, and h. One should

note, however, that several data below 473 K deviate from this relation, indicating different paths [3].

The intensity ratio of ID/IG for various grades of graphite has been accepted to have an inverse proportionality against a “crystalline size La” [4,5]. However, we have found that a significant reduction of the ID/IG appears for the RT-irradiated HOPG on annealing at 473 K, which cannot be explained by the crystalline size change [6]. This implies that the change of ID/IG under irradiation should not be attributed simply to the crystalline size change, but to defects produced in the basal planes such as single vacancies or vacancy related clusters. This reduction only occurred for unamorphized specimens. Nakamura and Kitajima have found that the ID/IG has a square root dependence on the irradiation dose before amorphization [7]. They successfully explained this result as arising from the reduction of phonon correlation length due to vacancy formation. According to the model, an important relation between the atomic concentration of the in-plane defects CV and the intensity ratio ID/IG has been found as

CV =k(ID/IG)2 (1)Where k is a constant. Utilizing this equation, one can estimate the amount of in-plane

defects which is repaired upon annealing. It has been shown that the intensity ratio, which reaches values of about 0.9 and 1.5, after 25 keV D+ irradiation at RT to doses of 5.0x1019/m2 and 1.0x1020/m2, respectively, remarkably decreased on annealing at 473 K, and 873 K finally reaches value of 0.1 and 0.3, respectively. From Eq. (1), we estimated that 98 % and 96 % of the in-plane defect are recovered on annealing, respectively [6].

The above progress in experimental and theoretical works by Raman spectroscopy has allowed us to investigate the disordering process of graphite from the viewpoint of in-plane defects of vacancies and their related structure. Recently, we have proposed a model (disordered region model), based on the idea that that the amorphization is induced by the accumulation of the disordered region [8]. The disordered region model has successfully predicted the temperature dependence of the critical dose for amorphization and provides the activation energies of point defects. More recently, we have refined the disordered region model, assigning the disordered region to a dislocation dipole [9]. The refined model (dislocation accumulation model) can predict the change of defect concentration and leads to a useful relation to estimate CV quantitatively from the Raman intensity ratio in the case where most of the in-plane defects are single vacancies:

CV = 0.0016 (ID/IG)2. (2)

References[1] B S Elman, M S Dresselhaus. G Dresselhaus, E W Maby, H Mazurek. Phys. Rev. B 24, 1027 (1981)[2] K Niwase, M Sugimoto, T Tanabe, F E Fujita, J. Nucl. Mater. 155-157, 303 (1988) [3] K Niwase and T Tanabe, Mater. Trans. Jpn. Inst. Met. 34, 1111 (1993)[4] F Tuinstra and J L Koenig, J. Chem. Phys. 53, 1126 (1979)[5] D S Knight and W B White, J. Mater. Res. 4, 385 (1989) [6] K Niwase, T Tanabe, I Tanaka. J. Nucl. Mater. 191-194, 335 (1992)[7] K Nakamura and M Kitajima. Phys. Rev. B 45, 78 (1992) [8] K Niwase. Phys. Rev. B 52,15785 (1995)[9] K Niwase. Phil. Mag. Lett., in press.

SECTION 17PROTEINS / PEPTIDES / AMINO ACIDS / ENZYMES /

CHROMOPHORIC BIOMOLECULES

SECONDARY AND TERTIARY STRUCTURE OF HUMAN ACID 1–GLYCOPROTEIN BY HOMOLOGY MODELING AND VIBRATIONAL SPECTROSCOPY: TOPOGRAPHY OF THE HIGH-AFFINITY BINDING SITE

V. Kopecký Jr.1,2*, R. Ettrich3, K. Hofbauerová2,4, V. Baumruk1, V. Karpenko4

1 Institute of Physics, Charles University, Ke Karlovu 5, CZ-12116 Prague 2, Czech Republic; E-Mail: kopecky@karlov.mff.cuni.cz, baumruk@karlov.mff.cuni.cz2 Department of Biochemistry, Charles University, Albertov 2030, CZ-12840 Prague 2, Czech Republic; E-Mail: hofbauer@biomed.cas.cz3 Institute of Physical Biology, University of South Bohemia, Zámek 136, CZ-37333 Nové Hrady, Czech Republic; E-Mail: ettrich@greentech.cz4 Department of Physical and Macrom. Chemistry, Charles University, Albertov 2030, CZ-12840 Prague 2, Czech Republic; E-Mail: karpenko@natur.cuni.cz

Human acid α1-glycoprotein (AGP), also named orosomucoid, is a single polypeptide formed of 183 amino acids, with two disulfide bonds, and five carbohydrate chains amounting to about 40 % of the total mass of 41 kDa. AGP belongs to the lipocalin family of proteins, a heterogenous group of extracellular proteins that bind a variety of small hydrophobic ligands. However, it is known that AGP plays a role under inflammatory conditions and is able to bind basic drugs and certain steroid hormones, its biological function and 3D structure remains unknown [1]. Our recent study was concerned on thermal stability and some structural aspects in acid media [2]. Thus, to complement our work we connect Raman and infrared spectroscopy with molecular modeling to reveal 3D structure of AGP.

We provided homology modeling of the complete structure of the protein moiety of the human AGP (see Fig. 1). The lipocalins are small proteins around 200 residues, with molecular masses averaging 20 kDa. Although the amino acid sequences of the family members show low sequence identity, even below 20 %, and are quite divergent, they have a very similar folding pattern and the tertiary structures of lipocalins are strongly preserved. A model structure using the available lipocalin structures as templates was constructed with the MODELLER program [3]. Refinement was achieved through interactive visual and algorithmic analysis and minimization with the TRIPOS force field included in the SYBYL/MAXIMIN2 module. The docking of progesterone into the binding pocket was explored with the AUTODOCK program [4] followed by molecular mechanics optimization of the most interesting complexes.

Secondary structure of AGP and its changes upon heat-shock or progesterone binding was experimentally determined by analysis of infrared amide I & II bands and Raman amide I band. Progesterone binding was followed by Raman difference spectroscopy in details. For observation of the protein dynamics we tested stability in

temperature range 20–70 °C in a three steps process – heating, cooling, and the second heating. The collected spectra were analyzed by methods of factor analysis to reveal subtle motions of AGP terminal chains. Environment and conformation of tyrosine, tryptophan and cysteine residues were characterized. Our results from Raman spectra indicate high rigidity of the protein structure and thus fully support quality of its calculated model.

Fig. 1. The molecular model of AGP consists ofone domain which shows an eight-stranded antiparallel -barrel with an N-terminal and C-terminal –helix. The barrel is open at one side and encloses a binding pocket. There are three loops that are close to each other in the 3D structure and constitute the bottom of –barrel. All five N-glycosylation sites on the asparagine side chains are solvent exposed.

Fig. 2. Raman spectrum of AGP (7.5 mg/ml in 20 mM TrisHCl, pH 7.4)

Supported by the Volkswagen Foundation (I/74 679) and GACU (No. 220/2000/B-CH).

T. Fournier, N. Medjoubi-N, D. Porquet, Biochim. Biophys. Acta 1482, 157 (2000).K. Hofbauerová, V. Kopecký Jr., J. Sýkora et al., Biophys. Chem., in press (2002).A. Sali and J. P. Overington, Protein Sci. 3, 1582 (1994).G. M. Morris, D. Goodsell, R. Huey and A. J. Olson, J. Comput. Aided-Mol. Design 10, 293 (1996).

SECTION 20SURFACE / INTERFACIAL PHENOMENA

LOCAL SURFACE CHEMISTRY OBSERVED BY SURFACE-ENHANCED RAMAN SPECTROSCOPY. ADSORPTION OF CO ON Au

A. Kudelski*, B. Pettinger

Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195 Berlin Germany, E-mail: kudelski@fhi-berlin.mpg.de

The normal Raman scattering is an extremely inefficient process having a cross section that is many orders of magnitude smaller than that of fluorescent dyes (about 10-

30 cm2 sr-1 then 10-16 cm2 sr-1, respectively). This situation changes dramatically if one studies molecules adsorbed on rough metal substrates or aggregates of metal clusters of subwavelength dimensions. While the surface enhancement is weak for transition metals, it can become giant for noble metals such as Cu, Ag, and Au. This latter effect is known as surface-enhanced Raman scattering (SERS). Recently, it has been shown that the Raman cross section for a specific class of adsorbed molecules can be as high as 10-

15 cm2 per molecule, making single molecule Raman spectroscopy achievable [1].

The extremely large SERS enhancement appears to be a very “local” process with a high spatial confinement. For example, SERS investigations on colloidal systems revealed that a rather small fraction of nanoparticles have unusually high enhancement efficiencies compared to that of the total ensemble. Consequently, only 0.01% of the molecules in the sample (adsorbed on the so-called ”hot spots”) contributes to the observed SERS signal [2]. Consistently, theoretical simulations reported by Shalaev et al. [3] show that the local electromagnetic enhancements could be in excess of 1010 at rather localized structures.

The most important aspect of Raman experiments with very small number of adsorbates is the opportunity to study properties of molecules and their adsorption sites that are not hidden by a large inhomogeneous line broadening. Kneipp et al. [4] reported a significantly reduced inhomogeneous line broadening for single-wall carbon nanotubes. Meixner et al. [5] and our group [6] demonstrated the same for amorphous carbon deposits at silver colloids or at silver and gold substrates, respectively. Amorphous carbon systems usually exhibit very large inhomogeneous distribution in vibrational frequencies. We showed that this broadening results from superposition of a number narrow Raman lines, each of them arising from local part of a carbon network showing minor inhomogenous broadening.

In this paper we illustrate that fluctuations in SERS spectra represent a more general property of SERS, because it is observable also for small molecules such as CO

adsorbed at gold substrates. The experimental conditions are the same as described in ref. [6] (We used a Raman spectrometer attached to a microscope and using a high magnification objective).

Figure 1 shows an example of time series of Raman spectra of CO adsorbed at an SERS activated electrode. In this series in addition to the frequencies for CO adsorbed at top sites [7] at 2117 cm-1 Raman peak for bridge-bonded [7] CO appears, showing large intensity fluctuations. We have also found series where frequencies for CO adsorbed at top sites were significantly fluctuated due to changes of adsorption sites.

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Acknowledgement: AK thanks European Commission for financial support (Marie Curie Individual Fellowship within 5th Framework Program; project number: HPMF-CT-2002-01519)

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Fig. 1. Time series of SERS spectra of CO at roughened Au-electrode. E= +40 mV vs. SCE.

Our results clearly indicate that a significant part of the SERS active area changes in a unique fashion in a given time interval. However, it is not conceivable that the type of adsorption site is changed coherently for a substantial part of illuminated area. Note that the focal area has a diameter about dF ~ 2µm. Thus, the spectral fluctuations must arise from a rather small number of very localized domains (with 2r<<dF) having correspondingly larger surface enhancements. Their number and size must be small enough to avoid complete inhomogeneous broadening. For such localized domains adsorption site changes can occur more coherently, in particular if one considers chemical waves as a potential source of the observed Raman fluctuations. Therefore, this work also opens a new possibilities in searching for unusual properties of molecules adsorbed on “strange”/defects sites which may be of special importance in catalysis.