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
Registration
09:00-09:30
Room A
Opening Ceremony
09:30-10:30
Keynote Lecture
10:30-11:10
11:10-11:30
Plenary Lecture
11:30-12:10
12:10-13:40
Plenary Lecture
13:40-16:10
Coffee Break
Lunch Break
Room A
Invited
&
Submitted
Lectures
20:00-22:00
Room B
Invited
&
Submitted
Lectures
Room C
Invited
&
Submitted
Lectures
Room D
Invited
&
Submitted
Lectures
Reception
TUESDAY, 27 AUGUST
Room A
Plenary Lecture
09:00-09:40
09:40-10:20
10:20-10:40
Plenary Lecture
10:40-11:20
Plenary Lecture
11:20-12:00
12:00-13:30
Plenary Lecture
13:30-16:15
Coffee Break
Lunch Break
Room A
Invited
&
Submitted
Lectures
Room B
Invited
&
Submitted
Lectures
Room C
Invited
&
Submitted
Lectures
16:15-16:30
Coffee Break
16:30-18:30
Poster Session
Room D
Invited
&
Submitted
Lectures
WEDNESDAY, 28 AUGUST
09:00-10:00
10:00-10:40
10:40-11:00
11:00-11:40
11:50-12:50
Room A
Invited
Lectures
12:50-14:00
14:00-19:00
Room A
Keynote Lecture
Plenary Lecture
Coffee Break
Plenary Lecture
Room B
Room C
Invited
Invited
Lectures
Lectures
Lunch Break
Excursion (optional)
Room D
Invited
Lectures
THURSDAY, 29 AUGUST
09:00-09:40
09:40-10:20
10:20-10:40
10:40-11:20
11:30-12:30
Room A
Invited
Lectures
12:30-14:00
14:00-16:15
16:15-16:30
16:30-18:30
20:00-24:00
Room A
Invited
&
Submitted
Lectures
Room A
Plenary Lecture
Plenary Lecture
Coffee Break
Plenary Lecture
Room B
Room C
Invited
Invited
Lectures
Lectures
Lunch Break
Room B
Room C
Invited
Invited
&
&
Submitted
Submitted
Lectures
Lectures
Coffee Break
Poster Session
Banquet (optional)
FRIDAY, 30 AUGUST
09:00-09:40
09:40-10:20
10:20-10:40
10:40-11:20
11:20-12:00
12:00-12:40
12:40-13:00
13:00-13:20
Room A
Plenary Lecture
Plenary Lecture
Coffee Break
Plenary Lecture
Plenary Lecture
Plenary Lecture
Closing Lecture
Closing Ceremony
Room D
Invited
Lectures
Room D
Invited
&
Submitted
Lectures
FINAL PROGRAM
MONDAY, 26 AUGUST
Room A
09:00-09:30
Opening Ceremony
Chair: D. A. Long
Keynote Lecture
09:30-10:30
10:30-11.10
FEMTOSECOND COHERENT RAMAN SPECTROSCOPY
W. Kiefer*, M. Schmitt, T. Siebert, M. Heid, A. Materny, A. S. Grabtchikov
and V. Orlovich
Plenary Lecture
NEAR-FIELD RAMAN SPECTROSCOPY FOR CHEMICAL NANODIAGNOSTICS
C. Fokas, V. Deckert, M. De Serio and R. Zenobi*
11:10-11:30
Coffee Break
Chair: V. K. Rastogi
Plenary Lecture
11:30-12:10
RESONANCE RAMAN STUDIES OF SOLVENT EFFECTS ON SECOND-ORDER
NONLINEAR OPTICAL CHROMOPHORES
A. M. Kelley* and A. M. Moran
12:10-13:40
Lunch Break
Room A
Chair: A. M. Heyns
Invited Lecture
13:40-14:10
MULTIDIMENSIONAL THREE PULSE INFRARED SPECTROSCOPIES;
FEMTOSECOND SNAPSHOTS OF VIBRATIONAL COHERENCE
S. Mukamel* and R. Venkatramani
Invited Lecture
14:10-14:40
EFFICIENT REJECTION OF FLUORESCENCE FROM RAMAN AND TIME
RESOLVED RAMAN SPECTRA USING PICOSECOND KERR GATING
14:40-15:10
TIME-RESOLVED VIBRATIONAL SPECTRA OF EXCITED SINGLET AND TRIPLET
STATES OF XANTHONE AND FLUORENONE
A. W. Parker*, P. Matousek, M. Towrie, D. Phillips, C. Ma, W. M. Kwok and
W. T. Toner
Invited Lecture
C. Kato*, S. Tanaka and H. Hamaguchi
Submitted Lecture
15:10-15:25
ULTRAFAST VIBRATIONAL KINETICS DUE TO INTERNAL CONVERSION IN
4-NITROANILINE
W. Werncke*, V. Kozich, J. Dreyer and T. Elsaesser
Submitted Lecture
15:25-15:40
FEMTOSECOND COHERENCE SPECTROSCOPY OF BIOLOGICAL MOLECULES
P.M. Champion*, F. Rosca, A. Kumar, D. Ionascu, X. Ye, C. Beck and F. Gruia
Submitted Lecture
15:40-15:55
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. Lendl*, N. Leopold, M. Haberkorn, T. Laurell and J. Nielson
Submitted Lecture
15:55-16:10
APPLICATION OF NANO- AND PICOSECOND TIME-RESOLVED RESONANCE
RAMAN SPECTROSCOPY TO PHOTOPHYSICAL CHARACTERIZATION OF DNABINDING METAL COMPLEXES
C. G. Coates, J. J. McGarvey*, J. M. Kelly and A. Kirsch-De Mesmaeker
Room B
Chair: R. E. Hester
Invited Lecture
AND BEHAVIOUR OF PROTEINS AND VIRUSES FROM RAMAN
13:40-14:10 STRUCTURE
OPTICAL ACTIVITY
L. D. Barron*, E. W. Blanch, C. D. Syme, K. Nielsen and L. Hecht
Invited Lecture
14:10-14:40
ELECTRIC FIELD EFFECTS ON INTERFACIAL CHARGE TRANSFER PROCESSES
PROBED BY TIME-RESOLVED SURFACE ENHANCED RESONANCE RAMAN
SPECTROSCOPY
D. H. Murgida, L. Rivas, and P. Hildebrandt*
Invited Lecture
14:40-15:10
RAMAN SPECTROSCOPY OF BIOLOGICAL TISSUE
R. R. Dasari*, J. T. Motz, A. S. Haka, M. Hunter, K. E. Shafer-Peltier and M. S.
Feld
Submitted Lecture
15:10-15:25
RESONANCE RAMAN INVESTIGATION OF DNA PHOTOLYASE
J. Schelvis, O. Sokolova, A. Gopal, N. Goyal, S. Wagner, K. Connell and Y. Gindt
Submitted Lecture
15:25-15:40
NEW INSIGHTS INTO THE PROXIMAL HEME CAVITY OF HORSERADISH
PEROXIDASE VIA SITE DIRECTED MUTAGENESIS AND RESONANCE RAMAN
SPECTROSCOPY
G. Smulevich*, B. D Howes and A. T. Smith
Submitted Lecture
15:40-15:55
DYNAMICS OF TRYPTOPHAN ORIENTATION IN BACTERIORHODOPSIN
STUDIED BY RAMAN LINEAR INTENSITY DIFFERENCE SPECTROSCOPY
H. Takeuchi*, K. Asakawa and S. Masuda
Submitted Lecture
15:55-16:10
VISIBLE AND UV RESONANCE RAMAN CHARACTERIZATION OF THE ’P’
INTERMEDIATE OF BOVINE CYTOCHROME C OXIDASE
T. Kitagawa*, M. Aki, Y. Kim, Y. Natura, K. Oda, K. Shinzawa-Itoh, S. Yoshikawa
and T. Ogura
Room C
Chair: G. Baranović
Invited Lecture
13:40-14:10
RECENT FOURIER TRANSFORM MICRO-RAMAN SPECTROSCOPIC STUDIES AT
ULTRA-HIGH PRESSURES
I. S. Butler
Invited Lecture
14:10-14:40
SPECTROSCOPIC STUDIES OF CHEMICAL REACTIVITY AT HIGH PRESSURES
V. Schettino*, R. Bini, L. Ciabini, M. Citroni, M. Ceppatelli and M. Santoro
Invited Lecture
14:40-15:10
RAMAN SPECTROSCOPY OF FREE JET EXPANSIONS AND HYPERSONIC SHOCK
WAVES
A. Ramos, B. Maté, G. Tejeda, J. M. Fernández and S. Montero*
Submitted Lecture
15:10-15:25
THERMO-RAMAN SPECTROSCOPY FOR IN SITU DYNAMIC THERMAL
ANALYSIS
R. Murugan
Submitted Lecture
15:25-15:40
PRESSURE INDUCED PHASE TRANSITION IN METALLIC LAB 6 : AN EXAMPLE
OF LIFSHITZ TRANSITION
P. 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
Submitted Lecture
15:40-15:55
PHOTOPOLYMERISATION OF FULLERENES
E. A. Carter*, R. S. Armstrong, P. A. Lay, P. Paul and C. A. Reed
Submitted Lecture
15:55-16:10
PRESSURE-INDUCED AMORPHIZATION
D. Machon*, V. P. Dmitriev, P. Bouvier, G. Lucazeau and H.-P. Weber
Room D
Chair: Y. Ozaki
Invited Lecture
13:40-14:10
14:10-14:40
FOLLOWING CHEMISTRY IN PROTEIN CRYSTALS BY RAMAN MICROSCOPY
P. R. Carey*, M. Altose, Y. Zheng, X. Zheng, R. Zheng, M. Pusztai-Carey
and J. Dong
Invited Lecture
NEAR-FIELD RAMAN SPECTROSCOPY
S.-L. Zhang, Z.-H. Zhang, J.-J. Wang, X. Zhu
Invited Lecture
14:40-15:10
CARS MICROSCOPY: 3D VIBRATIONAL IMAGING OF PROTEINS, DNA, AND
LIPIDS IN LIVING CELLS
X. Sunney Xie and J.-X. Cheng
Submitted Lecture
15:10-15:25
POLARIZED RAMAN CONFOCAL MICROSPECTROSCOPY AND CHROMOPHORE
ORIENTATIONS IN VARIOUS AZOPOLYMER HOLOGRAPHIC DIFFRACTION
GRATINGS
F. Lagugné-Labarthet, J. L. Bruneel, T. Buffeteau and C. Sourisseau*
Submitted Lecture
15:25-15:40
15:40-15:55
BENEFITS OF IMMERSION OPTICS IN CONFOCAL RAMAN MICROSCOPY
J. Vyörykkä*, H. Iitti, I. Alasaarela, M. Halttunen, J. Tenhunen, T. Vuorinen
and P. Stenius
Submitted Lecture
CONSTRUCTION OF A PICOSECOND TIME-RESOLVED RAMAN SPECTROMETER
WITH NEAR-INFRARED EXCITATION
A. Sakamoto*, S. Matsuno, and M. Tasumi
Submitted Lecture
15:55-16:10
SPONTANEOUS SPECTRAL SHIFTS IN SINGLE-MOLECULE SERRS SPECTRA
OBSERVED ON ISOLATED Ag NANO-PARTICLES
T. Vosgröne and A. J. Meixner*
20:00-22:00
Reception
TUESDAY, 27 AUGUST
Room A
Chair: M. Moskovits
Plenary Lecture
09:00-09:40 THEORY OF THE FIRST LAYER AND SINGLE MOLECULE SERS
A. Otto
Plenary Lecture
09:40-10:20
SURFACE ENHANCED RESONANCE RAMAN SCATTERING. PROPERTIES AND
APPLICATIONS
P. 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 NANOSTRUCTURES
K. Kneipp, H. Kneipp, R. R. Dasari, M. S. Feld and M. S. Dresselhaus
Plenary Lecture
11:20-12:00
SURFACE-ENHANCED RAMAN SPECTROSCOPY – PAST AND FUTURE
M. Moskovits
12:00-13:30
Lunch Break
Room A
Chair: Z. Meić
Invited Lecture
13:30-14:00
SERS 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
Invited Lecture
14:00-14:30
ELECTROCHEMICAL SURFACE-ENHANCED RAMAN SPECTROSCOPY:
ADVANTAGES, APPLICATIONS AND ADVANCES
B. Ren, R.-A. Gu, Z.-Q. Tian*
Invited Lecture
14:30-15:00
FREE BASE PORPHYRIN METALATION IN LASER-ABLATED Ag COLLOID SERS
SYSTEMS : EVIDENCE FOR THREE DIFFERENT PORPHYRIN FORMS
M. Procházka*, P.-Y. Turpin, J. Štěpánek and B. Vlčková
Submitted Lecture
15:00-15:15
SURFACE-ENHANCED RAMAN SCATTERING (SERS) OF OXAZINE 720
ADSORBED ON A SILVER ELECTRODE
A.G. Brolo* and A.C. Sanderson
Submitted Lecture
15:15-15:30
PLASMON SCANNED SURFACE-ENHANCED RAMAN EXCITATION PROFILES
C. L. Haynes and R. P. Van Duyne*
Submitted Lecture
15:30-15:45
STM-TIP ENHANCED RAMAN SPECTROSCOPY ON ADSORBATES AT SMOOTH
METAL FILMS
B. Pettinger*, G. Picardi, R. Schuster and G. Ertl
Submitted Lecture
15:45-16:00
SINGLE MOLECULE SERRS OF MIXED PERYLENE LANGMUIR-BLODGETT
MONOLAYERS ON NOVEL METAL ISLAND SUBSTRATES
N. Pieczonka, P. Goulet and R. Aroca*
Submitted Lecture
16:00-16:15
PECULIARITIES OF THE SER SPECTRA OF SYMMETRICAL MOLECULES
ADSORBED ON TRANSITION METAL SUBSTRATES
A. M. Polubotko*, B. Ren, Q. J. Huang, J. L. Yao, and Z. Q. Tian
Room B
Chair: A. M. Kelley
Invited Lecture
13:30-14:00
STRUCTURE ANALYSIS OF DI- AND TRIPEPTIDES BY FTIR, POLARIZED
RAMAN AND VCD SPECTROSCOPY
R. Schweitzer-Stenner*, F. Eker, P. Mroz, P. M. Kozlowski, X. Cao and L.
Nafie
Invited Lecture
14:00-14:30
RAMAN SCATTERING TENSORS IN BIOLOGICAL MOLECULES AND THEIR
ASSEMBLIES
M. Tsuboi
Invited Lecture
14:30-15:00
NON-RESONANCE CONFOCAL RAMAN IMAGING OF SINGLE CELLS
N. Uzunbajakava*, A. Lenferink, Y. Kraan, B. Willekens, G. Vrensen, J.
Greve and C. Otto
Submitted Lecture
15:00-15:15
PROTEIN AND NUCLEIC ACID SOLUTION STRUCTURE OF COWPEA MOSAIC
VIRUS FROM RAMAN OPTICAL ACTIVITY
15:15-15:30
EFFECT OF CHLORINATED PHENOLS ON DPPC LIPOSOMES: RAMAN
SPECTROSCOPY AND AB INITIO CALCULATIONS
E. W. Blanch*, G. P. Lomonossoff, V. Volpetti, K. Nielsen, L. Hecht and L. D.
Barron
Submitted Lecture
A. Csiszár, E. Koglin, A. Bóta* and E. Klumpp
Submitted Lecture
15:30-15:45
FT-RAMAN SPECTROSCOPIC MONITORING OF THE METHACRYLIC ACID
POLYMERIZATION
S. Borchert, M. Ulbricht and H. W. Siesler
Submitted Lecture
15:45-16:00
DEGRADATION OF POLY (VINYL CHLORIDE) STUDIED BY MICRO RAMAN
SPECTROSCOPY
A. Gupper*, P. Wilhelm and M. Schiller
Submitted Lecture
16:00-16:15
DETERMINATION OF MOLECULAR COORDINATION IN ION-CONDUCTING
POLYMER GELS VIA INVESTIGATION OF FERMI RESONANCE PERTURBED
RAMAN BANDS
D. Ostrovskii*, M. Edwardsson and P. Jacobsson
Room C
Chair: H. Kuzmany
Invited Lecture
13:30-14:00
VAPOR-PHASE RAMAN SPECTRA OF NON-RIGID MOLECULES AT ELEVATED
TEMPERATURES
D. E. Autrey, Z. A. Arp, K. Haller and J. Laane*
Invited Lecture
14:00-14:30
STRUCTURAL INVESTIGATION OF ELECTRO-CERAMICS USING RAMAN
SPECTROSCOPY
R. S. Katiyar* and P. S. Dobal
Invited Lecture
14:30-15:00
ROLE OF POLYVINYL PYRROLIDONE IN SILVER NANOPARTICLES PREPARED
BY γ-IRRADIATION
H. J. Yang, H. S. Shin, H. J. Nam, M. S. Lee and S. B. Kim*
Submitted Lecture
15:00-15:15
SURFACE-ENHANCED RAMAN SCATTERING FOR ELECTROCHEMICALLY
GROWN ZnSe WITH IMMERSED MAGNETIC Fe CLUSTERS
E. Silveira*, A. R. de Moraes, D. H. Mosca, N. Mattoso and W. H. Schreiner
Submitted Lecture
15:15-15:30
IN SITU MICRO-RAMAN STUDY OF THE CRYSTALLIZATION PROCESS UNDER
CW LASER ANNEALING OF Si FILMS
C. Santato, G. Mattei*, W. Ruihua and F. Mecarini
Submitted Lecture
15:30-15:45
POLYCONJUGATED MOLECULES: FREQUENCY AND INTENSITY
SPECTROSCOPY IN THE STUDY OF THEIR PECULIAR DYNAMICS AND
ELECTRONIC STRUCTURE
M. Del Zoppo*, A. Bianco, G. Zerbi, E. Pini and R. Stradi
Submitted Lecture
15:45-16:00
COMPARISON OF DFT METHODS FOR THE CALCULATION OF RAMAN AND IR
SPECTRA : METABOLISM OF METHABENZTHIAZURON
E. Koglin* and E.G. Witte
Submitted Lecture
16:00-16:15
LOW FREQUENCY VIBRATIONAL SPECTRA AND FORCE CONSTANT
CALCULATIONS OF COBALT CARBONYL CLUSTER COMPLEXES CONTAINING
μ3-BRIDGING SULFUR
L. Hajba*, E. Bencze, K. Tóth, L. Kocsis, J. Mink,, L. Markó, S. Vastag
Room D
Chair: G. Keresztury
Invited Lecture
RAMAN AND INFRARED SPECTROSCOPY OF GLYCINE
13:30-14:00 POLARISED
COMPOUNDS CRYSTALS
J. Baran
Invited Lecture
14:00-14:30
HIGH RESOLUTION FEMTOSECOND CARS SPECTROSCOPY
M. Motzkus
Invited Lecture
14:30-15:00
AN ALL-SOLID-STATE NARROW-BAND, TUNABLE (187 – 1800 NM) LASER FOR
RAMAN EXCITATION
V. A. Orlovich* and W. Kiefer
Submitted Lecture
15:00-15:15
RAMAN ANALYSIS OF MULTIPHASE SYSTEMS OF CONTROLLED TRANSPORT
PROPERTIES
G. Marosi, I. Mohammed-Ziegler*, A. Szép and P. Anna
Submitted Lecture
15:15-15:30
SPECTROELECTROCHEMICAL STUDIES USING CONFOCAL RAMAN
MICROSPECTROMETRY
F. Bonhomme, J. Grondin, J. C. Lassègues and L. Servant*
Submitted Lecture
15:30-15:45
THE 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
Submitted Lecture
15:45-16:00
RAMAN AND INFRARED SPECTRA, CONFORMATIONAL STABILITIES, AND AB
INITIO CALCULATIONS OF SOME ORGANOSILANES
J. R. Durig*, C. Pan, S. Shen and G. A Guirgis
Submitted Lecture
16:00-16:15
VIBRATIONAL SPECTRA AND STRUCTURE OF TRANSITION METAL πCOMPLEXES: IR AND RAMAN SPECTRA AND DENSITY FUNCTIONAL
CALCULATIONS
B. V. Lokshin*, Yu. A. Borisov and O. G. Garkusha
16:15-16:30
16:30-18:30
Coffee Break
Poster Session
WEDNESDAY, 28 AUGUST
Room A
Chair: S.-L. Zhang
Keynote Lecture
09:00-10:00
MULTIDIMENSIONAL COHERENT TRANSIENT INFRARED SPECTROSCOPY: THE
IR ANALOGUES OF NMR
R. M. Hochstrasser
Plenary Lecture
10:00-10:40
RAMAN MICROSCOPY: SENSITIVE PROBE OF PIGMENTS ON MANUSCRIPTS,
PAINTINGS AND OTHER ARTEFACTS
R. J. H. Clark
10:40-11:00
Coffee Break
Room A
Chair: L. D. Barron
Plenary Lecture
11:00-11:40
VIBRATIONAL OPTICAL ACTIVITY: CIRCULAR POLARIZATION FORMS, AND
EXCITED STATE ELECTRONIC INTENSITY ENHANCEMENT FOR ROA AND VCD
L. A. Nafie
Invited Lecture
11:50-12:20
RAMAN OPTICAL ACTIVITY MEASUREMENTS WITHOUT FLICKER NOISE AND
OFFSET PROBLEMS
W. Hug
Invited Lecture
12:20-12:50
COMPARISON OF RAMAN OPTICAL ACTIVITY AND VIBRATIONAL CIRCULAR
DICHROISM OF PROTEINS: WHAT YOU GET AND WHAT YOU DON’T
R. K. Dukor* and L. A. Nafie
Room B
Chair: B. Vlčková
Invited Lecture
11:50-12:20
SURFACE ENHANCED RESONANCE RAMAN SCATTERING – CURRENT
UNDERSTANDING AND PRACTICAL APPLICATIONS
W. E. Smith*, D. Graham, I. Khan, R. Keir and C. McLauglin
Invited Lecture
12:20-12:50
SINGLE BIOMOLECULE SERS: PROMISES AND PROBLEMS
E. J. Bjerneld*, H. Xu and M. Käll
Room C
Chair: J. R. Durig
Invited Lecture
11:50-12:20
NANOSIZE EFFECT ON TEMPERATURE AND PRESSURE INDUCED PHASETRANSITIONS IN ZIRCONIUM AND TUNGSTEN OXIDES
G. Lucazeau*, P. Bouvier, E. Djurado, M. Boulova, T. Pagnier, V. Dmitriev
Invited Lecture
12:20-12:50
PRERESONANCE RAMAN SCATTERING AS EFFECTIVE TOOL FOR
INVESTIGATION OF ORGANOMETALLIC COMPOUNDS OF NOVEL CLASSES
L. A. Leites* and S. S. Bukalov
Room D
Chair: B. Lendl
Invited Lecture
11:50-12:20
RESONANCE RAMAN SPECTROSCOPY OF CONDUCTING POLYMERS
Y. Furukawa*, D. Okamura, H. Hamaki, S. Tagami and K. Honda
Invited Lecture
12:20-12:50
VIBRATIONAL ENERGY REDISTRIBUTION OF HEME IN PROTEINS PROBED BY
PICOSECOND TIME-RESOLVED RESONANCE RAMAN SPECTROSCOPY
Y. Mizutani* and T. Kitagawa
12:50-14:00
14:00-19:00
Lunch Break
Excursion (optional)
THURSDAY, 29 AUGUST
Room A
Chair: H. G. M. Edwards
Plenary Lecture
09:00-09:40 μ-CARS OF BIOMOLECULES
C. Otto*, S. G. Kruglik, N. Uzunbajakava and J. Greve
Plenary Lecture
09:40-10:20
RAMAN SCATTERING IN SEMICONDUCTING NANOWIRES: PHONON
CONFINEMENT AND RESONANCE EFFECTS
P. C. Eklund
10:20-10:40
Coffee Break
Room A
Chair: S. Schneider
Plenary Lecture
10:40-11:20
“TRIPLE RESONANT” RAMAN SCATTERING IN SINGLE WALL CARBON
NANOTUBES: OSCILLATIONS IN THE D AND D* BANDS
J. Kürti*, V. Zólyomi, A. Grüneis and H. Kuzmany
Invited Lecture
11:30-12:00
RAMAN ANALYSIS OF PRISTINE AND DOPED C60 PEAPODS
H. Kuzmany*, T. Pichler, Ch. Kramberger and R. Pfeiffer
Invited Lecture
12:00-12:30
GENERAL ASPECTS OF RAMAN SPECTROSCOPY IN ONE-DIMENSIONAL
SYSTEMS: THE STUDY OF ISOLATED SINGLE WALL CARBON NANOTUBES
A. Jorio*, A. G. Souza Filho, M. A. Pimenta, R. Saito, G. Dresselhaus and M.
S. Dresselhaus
Room B
Chair: B. Lokshin
Invited Lecture
11:30-12:00
FROM SILICA TO CLAYS: MODELLING THE RAMAN SPECTRA OF MATERIALS
WITH MOLECULAR DYNAMICS
M. Arab, P. Bornhauser, D. Bougeard*, E. Geidel and K. S. Smirnov
Invited Lecture
12:00-12:30
RAMAN SPECTRA OF POLYCYCLIC AROMATIC HYDROCARBONS
M. Tommasini
Room C
Chair: D. K. Breitinger
Invited Lecture
11:30-12:00
RAMAN SPECTROSCOPY OF BIOGEOLOGICAL MATERIALS IN EXTREME
ENVIRONMENTS: FROM MARS OASIS, ANTARCTICA, TO PLANET MARS
H. G. M. Edwards* and D. D. Wynn-Williams
Invited Lecture
12:00-12:30
RAMAN SPECTROSCOPY: A SUITABLE TOOL FOR PLANETARY
INVESTIGATIONS
J. 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
Invited Lecture
11:30-12:00 STIMULATED RAMAN PUMPING EXPERIMENTS
D. Bermejo
Invited Lecture
12:00-12:30
BRAGG-RESONANT COHERENT ANTI-STOKES RAMAN SCATTERING AND
FOUR-WAVE MIXING WITH SLOW AND CONFINED LIGHT IN PHOTONIC BANDGAP STRUCTURES: PAVING THE WAY FOR NONLINEAR OPTICS AND
SPECTROSCOPY WITH LOW-ENERGY PULSES
A. M. Zheltikov
12:30-14:00
Lunch Break
Room A
Chair: J. Kürti
Invited Lecture
THEORY OF RAMAN SCATTERING IN SINGLE WALL CARBON NANOTUBES
14:00-14:30
R. 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
Invited Lecture
14:30-15:00
DOUBLE RESONANT RAMAN SCATTERING IN CARBON NANOTUBES
S. Reich, C. Thomsen* and J. Maultzsch
Invited Lecture
RAMAN AND SERS STUDIES OF CARBON NANOTUBES SYSTEMS
15:00-15:30
15:30-15:45
15:45-16:00
S. Lefrant*, J. P. Buisson, J. M. Benoit, J. Schreiber, O. Chauvet, C. Godon,
M. Baibarac and I. Baltog
Submitted Lecture
DISPERSIVE RAMAN MODES IN ISOLATED SINGLE WALL CARBON NANOTUBE
A. G. Souza Filho, A. Jorio, V. W. Brar, Ge. G. Samsonidze, R. Saito, M. A.
Pimenta, G. Dresselhaus and M. S. Dresselhaus
Submitted Lecture
STRUCTURE, DYNAMICS, AND STABILITY OF NOVEL SCANDIUM
ENDOHEDRAL FULLERENES
M. Krause*, L. Dunsch, H. Kuzmany, V. Popov and G. Seifert
Submitted Lecture
16:00-16:15
DETECTION OF PLANAR CHROMATOGRAPHY SPOTS BY INFRARED AND
RAMAN SPECTROSCOPY
L. Kocsis*, J. Mink, K. Fodor, B. Babócsi
Room B
Chair: R. K. Dukor
Invited Lecture
14:00-14:30
IDENTIFICATION OF ILLICIT DRUGS BY SURFACE ENHANCED RAMAN
SPECTROSCOPY
14:30-15:00
TIME-RESOLVED RAMAN SPECTROSCOPY OF PHARMACEUTICAL MOLECULES
S. Schneider*, B. Sägmüller, G. Brehm, G. Trachta, J. Stropp and B.
Schwarze
Invited Lecture
H. Takahashi*, M. Mizuno, M. Sakai, A. Nakata, T. Baba and H. Nakai
Invited Lecture
15:00-15:30
RAMAN STUDY OF POTENTIAL "ANTISENSE" DRUGS: HYBRIDISATION
PROPERTIES OF DINUCLEOSIDE MONOPHOSPHATE ANALOGS WITH SINGLE
MODIFIED INTERNUCLEOTIDE LINKAGE
J. Štěpánek*, J. Hanuš, K. Ruszová-Chmelová, P.-Y. Turpin
Submitted Lecture
15:30-15:45
APPLICATION OF RAMAN MICROSPECTROSCOPY FOR THE IN-VITRO
CHARACTERISATION OF BIOACTIVE PROPERTIES OF BIORESORBABLE
POLYMERIC FOAMS FILLED WITH BIOGLASS® PARTICLES
I. Notingher*, A. R. Boccacini, V. Maquet, R. Jérôme and L. L. Hench
Submitted Lecture
15:45-16:00
RECENT APPLICATIONS OF MICRORAMAN AND PL SPECTROSCOPY TO THE
ANALYSIS OF GEOMATERIALS
M. Bloomfield
Submitted Lecture
16:00-16:15
SURFACE-PLASMON-POLARITON RAMAN SCATTERING FOR THE STUDY OF
ANCHORING AND ORIENTATIONAL WETTING OF NEMATIC LIQUID CRYSTALS
ON SELF-ASSEMBLED MONOLAYERS
E. M. Cheadle, D. N. Batchelder*, S. D. Evans, D. A. Smith, K. J. Baldwin, H.
Fukushima and T. Tamaki
Room C
Chair: J. Popp
Invited Lecture
14:00-14:30
RAMAN SPECTROMETRY IN MINERALOGY AND GEOLOGY
D. K. Breitinger
Invited Lecture
14:30-15:00
DO NONTRONITES HOLD THE KEY TO LIFE ON MARS?
15:00-15:30
RAMAN SPECTROSCOPY OF OXOCARBONS AND RELATED SPECIES
R. L. Frost* and J. T. Kloprogge
Invited Lecture
P. S. Santos
Submitted Lecture
15:30-15:45
RAMAN INVESTIGATION OF SELECTED CERAMIC PIGMENTS, PORCELAINS
AND CLAYS
D. de Waal* and V. Esterhuizen
Submitted Lecture
15:45-16:00
A HOLISTIC RAMAN SPECTROSCOPIC INVESTIGATION OF AN
ARCHAEOLOGICAL SITE IN AFRICA
L. C. Prinsloo*, A. Bumby, I. Meiklejohn and A. Meyer
Submitted Lecture
16:00-16:15
THE HYDROTHERMAL FORMATION OF HYDRONIUM ALUNITE FROM
AQUEOUS Al2(SO4)3 SOLUTIONS AND THE CHARACTERIZATION OF THE SOLID
PHASE- ALUNITE
W. W. Rudolph
Room D
Chair: A. M. Zheltikov
Invited Lecture
14:00-14:30
DEVELOPMENTS OF HIGH TEMPERATURE RAMAN SPECTROSCOPIC
TECHNIQUE AND ITS APPLICATIONS ON MICRO-STRUCTURE STUDY OF
INORGANIC MATERIALS
J. Guochang, Y. Jinglin and X. Kuangdi
Invited Lecture
14:30-15:00
SURFACE ENHANCED HYPER RAMAN SCATTERING FROM MOLECULES
ADSORBED ON METAL-NANOPARTICLES-ON-SMOOTH-ELECTRODE:
EXPERIMENTS AND THEORY
X.-Y. Li*, Q.-J. Huang, V. I. Petrov, Q. Luo, X. Yu, Y. Yan and N.-T. Yu
Invited Lecture
15:00-15:30
PHONON FREQUENCY SPECTRUM OF HTSC: EuBaCuFeO5
S. Mohan
Submitted Lecture
15:30-15:45
INVERSE RAMAN SPECTROSCOPY FOR ORDERED SYSTEMS
15:45-16:00
LASER-INDUCED ELECTRON TRANSFER PROCESS IN PORPHYRINS
M. Kubinyi, A. Grofcsik, J. Baran and W. J. Jones*
Submitted Lecture
A. L. Verma and H. H. Thanga
Submitted Lecture
16:00-16:15
HIGH-RESOLUTION SPECTROSCOPY OF MOLECULAR RESONANCES BY TIMEDOMAIN CARS
V. 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
Plenary Lecture
09:00-09:40
UV RESONANCE RAMAN INVESTIGATIONS OF THE CONFORMATIONAL
DYNAMICS OF PROTEIN AND PEPTIDE FOLDING
S. A. Asher*, A. Ianoul, A. Mikhonin, and I. K. Lednev
Plenary Lecture
09:40-10:20
RESONANT SOFT X-RAY RAMAN SPECTROSCOPY
C. 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
Plenary Lecture
10:40-11:20 GENERALIZED TWO-DIMENSIONAL RAMAN CORRELATION SPECTROSCOPY
Y. Ozaki
Plenary Lecture
11:20-12:00
UNDERSTANDING SOLVENT EFFECTS FROM RESONANCE RAMAN
INTENSITIES
N. Biswas, G. Balakrishnan, H. Mohapatra and S. Umapathy*
Plenary Lecture
12:00-12:40
12:40-13:00
13:00-13:20
NONLINEAR RAMAN EFFECTS IN MOLECULES SUBJECTED TO INTENSE
ULTRASHORT PULSES – FROM FEMTOSECOND TO ATTOSECOND
SPECTROSCOPY
A. D. Bandrauk*, N. Hong Shon and F. Legare
Closing Lecture
ICORS 2004
I. S. Butler
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 1
THEORETICAL 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-2,4DICHLOROPHENYL)-2,2-DICHLOROACETAMIDES
V. Arjunan, S. Subramanian and S. Mohan
2/M
VIBRATIONAL SPECTROSCOPY OF RESVERATROL
3/M
RAMAN BAND SHAPE ANALYSIS OF A LOW TEMPERATURE MOLTEN SALT
F. Billes, I. Mohammed-Ziegler, H. Mikosch and E. Tyihák
A. O. Cavalcante and M. C. C. Ribeiro
4/M
FT-RAMAN, AB INITIO AND FT-SERS OF 9(10H)ACRIDONE
5/M
RAMAN AND INFRARED SPECTRA, CONFORMATIONAL STABILITIES, AND AB
INITIO CALCULATIONS OF SOME ORGANOSILANES
S. Cîntă Pînzaru, C. Morari, T. Iliescu
J. R. Durig, C. Pan, S. Shen and G. A. Guirgis
6/M
INVESTIGATION OF METHYLPYRAZINES BY VIBRATIONAL SPECTROSCOPY AND
QUANTUM CHEMICAL CALCULATIONS
H. Endrédi, F. Billes and G. Keresztury
7/M
MEASUREMENTS AND THEORETICAL CALCULATIONS OF RAMAN
DEPOLARIZATION RATIOS FOR TOTALLY SYMMETRIC MODES OF SOME
AROMATIC MOLECULES
K. Furuya, H. Watanabe, Y. Okamoto, A. Sakamoto, and M. Tasumi
8/M
ANGULAR RESOLVED PHENOMENOLOGICAL RAMAN INTENSITY EXPRESSIONS IN
TERMS OF POLARIZATION DEPENDENT OBSERVABLES
L. Hecht
9/M
FERMI RESONANCE IN POLYPHENYLS: AN AB-INITIO STUDY
G. Heimel, D. Somitsch, P. Knoll and E. Zojer
10/M
RESONANT FORWARD SCATTERING OF PHOTONS: BIREFRACTIVITY OF A SINGLE
ATOM
V. Hizhnyakov, M. Rozman,
11/M
COLLISION-INDUCED LIGHT SCATTERING OF ADAMANTANE, C10H16, IN THE GASPHASE
U. Hohm and G. Maroulis
12/M
NORMAL RAMAN SPECTROSCOPIC AND AB INITIO QUANTUM MECHANICAL
STUDIES OF BENZOTRIAZOLE IN SOLUTIONS WITH DIFFERENT pHS
Z.-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 APPROACH
K. István, G. Keresztury, O. Berkesi and T. Sundius
14/M
DEVELOPMENT OF BLOCH STATES IN CONJUGATED POLYMERS
J. 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-BENZONITRILE
S. 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
CALCULATIONS
Z. Meić, T. Hrenar, R. Mitrić and G. Keresztury
18/M
AMIDE MODE φ,ψ DEPENDENCE IN PEPTIDES FROM AB INITIO VIBRATIONAL
FREQUENCY MAPS
N. G. Mirkin and S. Krimm
19/M
THE NORMAL COORDINATE ANALYSIS AND INTERPRETATION OF IR AND RAMAN
SPECTRA OF POLYFLUOROETHYLENE
S. Mohan and P. Nallasamy
20/M
ISOTROPIC RAMAN LINE SHAPE OF COUPLED AND UNCOUPLED STATES OF FLUID
NITROGEN NEAR ITS GAS-LIQUID CRITICAL POINT
M. 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 SETS
D. 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
LIQUIDS
H. Torii
23/M
VIBRATIONAL RELAXATION IN 4,4'-DIBROMOBENZOPHENONE CRYSTAL
V. Volovšek and L. Bistričić
SECTION 2
RAMAN SPECTROSCOPY UNDER EXTREME CONDITIONS (PRESSURE,
TEMPERATURE, HIGH MAGNETIC FIELD, ETC.)
24/M
FT RAMAN MICROSPECTROSCOPY AT HIGH EXTERNAL PRESSURE. CRYSTALLINE
ANTHRACENE AND TRANS-CINNAMIC ACID
G. Baranović and D. Babić
25/M
DETECTION OF OCCUPANCY DIFFERENCES IN METHANE GAS HYDRATES BY
RAMAN SPECTROSCOPY
S. Brunsgaard Hansen, R. W. Berg, and E. H. Stenby
26/M
TOWARDS THE UNDERSTANDING OF RELAXOR FERROELECTRICS: A HIGHPRESSURE RAMAN STUDY
J. Kreisel, B. Chaabane,, P. Bouvier, G. Lucazeau
27/M
LOW TEMPERATURE N2:He STATE-TO-STATE COLLISION RATES DETERMINED BY
RAMAN SPECTROSCOPY
B. 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 CRYSTALS
CsDy(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-SILATHIETANE
I. 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 MELT
J. L. You, G. C. Jiang, Q. Wen, H. Y. Hou, Y. Q. Wu, H. Chen and K. D. Xu
SECTION 3
INSTRUMENTATION / 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 POLYMERS
Y. Aksenov, A. A. van Apeldoorn,, J. D. de Bruijn, C. A. van Blitterswijk,,J.
Greve, C. Otto
33/M
BRILLOUIN SCATTERING IN LIQUID TOLUENE
A. 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 EXPERIMENTS
L. 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
SPECTROSCOPY
B. 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 LANGMUIRBLODGETT MONOLAYER
C. J. L. Constantino, T. Lemma, P. A. Antunes and R. Aroca
37/M
TOWARDS IN SITU NEAR-FIELD RAMAN MICROSCOPY OF SINGLE CATALYTIC
SITES
Ch. Fokas, and V. Deckert
38/M
ATR-SNOM RAMAN SPECTROSCOPY
M. Futamata
39/M
A NEW SINGLE GRATING SPECTROGRAPH FOR ULTRAVIOLET RAMAN
SCATTERING STUDIES
L. Hecht
40/M
CHARACTERIZATION OF ELECTROCHEMICAL Li+ INSERTION-EXTRACTION OF CoO
BY TWO-DIMENSIONAL RAMAN CORRELATION SPECTROSCOPY
Y. Mee Jung, H. Chul Choi and S. Bin Kim
41/M
TERAHERTZ TIME DOMAIN SPECTROSCOPY OF ORDINARY AND EXTRAORDINARY
PHONON-POLARITON IN LITHIUM NIOBATE
S. Kojima, N. Tsumura, H. Kitahara, M. Wada Takeda and S. Nishizawa
42/M
PHONON ANISOTROPY MANIFESTATION IN SPECTRA OF RAMAN SCATTERING BY
EXTRAORDINARILY POLARIZED POLARITONS
T. V. Laptinskaya, A. N. Penin
43/M
HIGH PRESSURE BRILLOUIN SCATTERING IN LIQUID n-HEXANE
J. Laubereau, A. Asenbaum, M. Musso, and Emmerich Wilhelm
44/M
RAMAN MICROSCOPIC STUDY OF THE ADSORPTION OF GALLIC ACID ONTO
DIFFERENT WOOD SPECIES
I. Mohammed-Ziegler, A. Holmgren and W. Forsling
45/M
MULTIWAVE SOLID-STATE LASER SYSTEM BASED ON STIMULATED RAMAN
SCATTERING AND COHERENT MIXING FOR SPECTROSCOPIC APPLICATIONS
V. 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 SPECTROSCOPY
S. Sun, Q. Zhou
47/M
MULTI-POINT CONFOCAL RAMAN MICROSCOPY USING A DIFFRACTIVE OPTIC
F. C. Thorley, D. N. Batchelder and D. C. Lee
48/M
2-D STOICHIOMETRY DETERMINATION BY OMA RAMAN IMAGING
R.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
SPETROSCOPE
J. J. Wang, D. N. Batchelder, D. A. Smith, J. Kirkham, C. Robinson, Y. Saito, K.
Baldwin and B. Bennett
SECTION 4
ULTRA-FAST PHENOMENA / TIME-RESOLVED RAMAN SPECTROSCOPY /
ULTRAFAST COHERENT RAMAN SPECTROSCOPY
50/M
CARP – CHIRPED ADIABATIC RAMAN PASSAGE – THEORY & APPLICATIONS
A. D. Bandrauk and F. Légaré
51/M
NONLINEAR RAMAN SPECTROSCOPY WITH UV-ATTOSECOND PULSES
A. 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 MOLECULES
T. Siebert, A. Materny,, W. Kiefer and M. Schmitt
53/M
TRANSFORM RELATION BETWEEN CARS AND ABSORPTION IN THE CASE OF
PULSE EXCITATION
I. Tehver
SECTION 5
SURFACE ENHANCED SCATTERING
54/M
STUDY OF STRUCTURE AND MECHANISM OF CHARGE TRANSFER BETWEEN BISCROWN ETHER STILBENE AND BISAMMONIUM DERIVATIVES OF
DIPYRIDYLETHYLENE. SURFACE-ENHANCED RAMAN SCATTERING
SPECTROSCOPY APPROACH
I. 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 PYRAZINE
B. D. Alexander and T. J. Dines
56/M
THE NATURE OF CHARGE TRANSFER STATES OF THE METAL-ADSORBATE
COMPLEX IN SERS
J. 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 ANALYSIS
M. 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
SPECTROMETERS
L. 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 COPPER
O. Blajiev and A. Hubin
60/M
A THEORETICAL STUDY ON SINGLE MOLECULE SURFACE ENHANCED RAMAN
SCATTERING
S. Corni and J. Tomasi
61/M
SERS AND SEIR JOINT STUDIES ON GOLD, SILVER AND COPPER
NANOSTRUCTURES
C. Domingo, J. V. Garcia-Ramos, S. Sanchez-Cortes and J. A. Aznarez
62/M
SURFACE-ENHANCED RAMAN SCATTERING SPECTROSCOPY STUDY OF NEW
AZACROWN-CONTAINING CHROMENE
A. 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 PARTICLES
M. Futamata
64/M
SURFACE-ENHANCED RAMAN STUDY OF THE ADSORPTION OF LUCIGENIN AND
RELATED VIOLOGENS ON Ag NANOPARTICLES AND ELECTRODES: INFLUENCE OF
DIFFERENT ANIONS
J. 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 SUBSTRATE
B. Giese and D. McNaughton
66/M
DEVELOPMENT AND CHARACTERIZATION OF SERS-ACTIVE SUBSTRATES FOR
NEAR-FIELD RAMAN SPECTROSCOPY
J. 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 INTERFACE
J. 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 SIZES
J.-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-FORMYLFURAN
T. 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 GROUPS
K. István and G. Keresztury
71/M
MASS PRODUCTION OF NANO-SIZED SILVER PARTICLES FOR HIGHLY ACTIVE
SERS SUBSTRATES
M. 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 COLLOIDS
T. Lemma and R. Aroca
73/M
RAMAN AND SURFACE ENHANCED RAMAN STUDY OF METOCLOPRAMIDE AT
DIFFERENT pH VALUES
N. Leopold,, S. Cîntă Pînzaru, G. Damian, O. Cozar, J. Popp, W. Kiefer
74/M
MERCAPTOPURINE ADSORPTION ON SILVER COLLOID STUDIED BY SURFACE
ENHANCED RAMAN SPECTROSCOPY
N. Leopold,, S. Cîntă Pînzaru, W. Kiefer, B. Lendl
75/M
HYDROXYLAMINE REDUCED SILVER COLLOID: A NEW SUBSTRATE FOR
SURFACE-ENHANCED RAMAN SCATTERING
N. Leopold, B. Lendl
76/M
FURTHER EXTENDING OF SURFACE-ENHANCED RAMAN SPECTROSCOPY ON
RHODIUM IN THE SOLID/ GAS SYSTEM
X.-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 SURFACES
R. 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 ELECTRODE
I. López-Tocón, S. P. Centeno, M. R. López Ramírez and J. C. Otero
79/M
SINGLE MOLECULE DETECTION WITH SERS
80/M
RDX DETECTION BY FLOWCELL SERRS
Y. Maruyama,, M. Ishikawa and M. Futamata
M. 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 ELECTRODE
M. Muniz-Miranda
82/M
TOWARDS MOLECULAR RECOGNITION OF ENANTIOMERS USING SURFACEENHANCED RAMAN SPECTROSCOPY
G. Nikolakopoulos, S. Bottle and P. M. Fredericks
83/M
SURFACE ENHACED RAMAN SPECTROSCOPY INVESTIGATION OF METHIONINE
CONTAINING DIPEPTIDES ADSORBED ON COLLOIDAL SILVER
E. Podstawka,, L. M. Proniewicz,, Y. Ozaki,
84/M
RAMAN SPECTROSCOPY OF SPIN CROSSOVER COMPLEXES IN A DNA
ENVIRONMENT
K. 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 SPECTROSCOPY
B. Sägmüller, B. Schwarze, B. Brehm, S. Schneider, G. Rozing
86/M
A SIMPLE CHEMICAL METHOD FOR THE PREPARATION OF SILVER SURFACES FOR
EFFICIENT SERS
Y. 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
ORIGINS
S. Sanchez-Cortes, G. Fabriciova, C. Domingo, J. V. Garcia-Ramos and P.
Miskovsky
88/M
SERRS OF METHYL GREEN
I. T. Shadi, B. Z. Chowdhry and R. Withnall
89/M
SERRS OF METANIL YELLOW
I. T. Shadi, B. Z. Chowdhry, M. J. Snowden and R. Withnall
90/M
ETHYLENE AND OXYGEN ON COLD-DEPOSITED COPPER INVESTIGATED BY IRTRANSMISSION AND RAMAN SPECTROSCOPY
M. Sinther, C. Siemes, A. Bruckbauer, A. Pucci, A. Otto
91/M
PREPARATION OF SERS-ACTIVE ELECTRODES VIA ELECTROCRYSTALLIZATION
OF SILVER
E. 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
SURFACES
Z.-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 MONOLAYER
S.-C. Yu, K. H. Yu , J. M. Rhee, and S. Ko
SECTION 6
NON-LINEAR EFFECTS / CARS / RIKES
94/M
TEN YEARS OF STIMULATED RAMAN SPECTROSCOPY FOR TEMPERATURE
DIAGNOSTIC IN ROCKET ENGINES
H. 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 SPECTROSCOPY
J. Koster, S. Schlücker, J. Popp and W. Kiefer
96/M
STRUCTURE OF RED FLUORESCENT PROTEIN DsRed AS REVEALED FROM
RESONANCE CARS SPECTRA
S. 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 ENGINES
H. Tran, P. Joubert, J. Bonamy, L. Bonamy, D. Robert, F. Chaussard, R. SaintLoup 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 PROTEINS
L. 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 7
RESONANCE RAMAN SPECTROSCOPY
100/M CALCULATION OF THE RESONANCE RAMAN SPECTRA OF PYRAZINE USING THE
PERTURBATION METHOD
M. Dehestani
101/M A RESONANCE RAMAN SPECTROSCOPIC INVESTIGATION OF PIGMENTS USED IN
PRINTING INKS
T. J. Dines and H. Onoh
102/M MODE MIXING IN RESONANCE RAMAN SCATTERING: REORGANIZATION OF
CHEMICAL BONDS
V. Hizhnyakov, H. Kaasik and I.Tehver
103/M THE AGGREGATION OF BIS(2,4,6-TRIHYDROXYPHENYL)SQUARAINE IN SOLUTION
INVESTIGATED BY RAMAN SPECTROSCOPY
J. G. S. Lopes and P. S. Santos
104/M RESONANCE RAMAN STUDY OF THE EXCITED-STATE PROTON TRANSFER IN 1HYDROXY-2-ACETONAPHTHONE
A. V. Szeghalmi, R. Maksimenka, I. Pavel, W. Kiefer, M. Schmitt
105/M PHOTO-INDUCED DIACID PRODUCTS OF OCTAETHYLPORPHIN PROBED BY
RESONANCE RAMAN AND ABSORPTION TECHNIQUES
H.H. Thanga and A.L. Verma
SECTION 9
RAMAN OPTICAL ACTIVITY / RAMAN SCATTERING ANISOTROPY
106/M PERFORMANCE CHARACTERISTICS OF A DUAL CIRCULAR POLARIZATION
RAMAN OPTICAL ACTIVITY SPECTROMETER
D. A. Dunmire and L. A. Nafie
107/M RAMAN OPTICAL ACTIVITY STUDIES OF MODEL POLYPEPTIDE CONFORMATIONS
I. 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 CRYSTALS
A.V. Slobodyanyuk, S. G.. Garasevich
109/M PURPOSE-ORIENTED BASIS SETS FOR RAMAN AND RAMAN OPTICAL ACTIVITY
CALCULATIONS
G. Zuber and W. Hug
SECTION 10
ADVANCED MATERIALS: FULLERENE AND CARBON NANOTUBES /
DIAMOND / SUPER-HARD MATERIALS / OTHER NANOSCALE MATERIALS
AND OTHER NEW MATERIALS
110/M RAMAN SPECTRA OF ZIRCONIA BASED CERAMIC MATERIALS
N. Berezovska, A. Naumenko, M. Biliy, I. Dmitruk, O. Shevchenko
111/M DETERMINE THE SIZE OF Si QUANTUM DOTS BY RAMAN METHOD
D-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 SCATTERING
C.-C. Chiu, N.-H. Tai, I.-N. Lin and C.-T. Chia
113/M CHARACTERIZATION OF SINGLE WALL CARBON NANOTUBES FILLED WITH
SILVER CHLORIDE
P. Corio, P. S. Santos, M. A. Pimenta and M. S. Dresselhaus
114/M INFLUENCE OF Ca SUBSTITUTION ON RAMAN SPECTRA
OF SrBi2Ta2O9 CERAMICS
R. R. Das, W. Pérez, and R. S. Katiyar
115/M INTERPRETATION OF RESONANT RAMAN AND INFRARED SPECTRA OF
AMORPHOUS, NANOSTRUCTURED AND DIAMOND-LIKE CARBON FILMS
A. C. Ferrari
116/M A RAMAN STUDY ON FREE STANDING CARBON NANOTUBES
M. Hulman, H. Kuzmany, G. T. Kim and S. Roth
117/M RAMAN SPECTROSCOPY OF SELECTED SYNTHESIZED HYDROTALCITES
T. 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
SKUTTERUDITES
P. 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 PROCESS
A. Kukovecz, T. Pichler,, Ch. Kramberger, V. Georgakilas, M. Prato and H.
Kuzmany
120/M CHARACTERIZATION OF GaP AND TiO2 NANOWIRES BY RAMAN SPECTROSCOPY
M. 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 NANOTUBES
J. Maultzsch, P. M. Rafailov, M. Machón, S. Reich, and C. Thomsen
122/M RAMAN SCATTERING AND PHOTOLUMINESCENCE IN GRAPHITE
NANOPARTICLES
N. N. Melnik and V. A. Karavanski
123/M RAMAN SPECTRA OF CARBON FILMS, PREPARED BY PULSED LASER DEPOSITION
IN DIFFERENT ATMOSPHERES
M. 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 FILMS
M. 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-CRYSTAL
Y. Yan, S. L. Zhang, X. S. Zhao, Y. S. Han and L. Hou
SECTION 11
SEMICONDUCTORS AND RELATED LOWER DIMENSIONAL STRUCTURES
/ 2-D ELECTRONIC GAS
127/M LOW WAVENUMBER RAMAN SCATTERING FROM NANOSIZED CdSXSe1-X
CRYSTALS EMBEDDED IN GLASS MATRIX
K. Babocsi, M. Ivanda, C. Dem, M. Schmitt, M. Montagna, W. Kiefer
128/M DETERMINATION OF NANOSIZED PARTICLE DISTRIBUTION BY MEANS OF LOW
WAVENUMBER RAMAN SCATTERING
C. Dem, M. Ivanda, K. Babocsi, M. Schmitt, W. Kiefer
129/M RAMAN SCATTERING AND STIMULATED LIGHT EMISSION FROM NANOSIZED
SILICON CRYSTALS
M. Ivanda,, W. Kiefer, C. W. White, and U. Desnica
130/M LASER-INDUCED RAMAN AND PHOTOLUMINESCENCE BAND CHANGES AND
THEIR REVERSIBILITY IN POROUS SILICON
E. J. Liang, M. J. Chao and P. Ding
131/M TEMPERATURE-DEPENDENT LAYER THICKNESS OF Ge/Si SUPERLATTICE
DETERMINED BY FOLDED ACOUSTIC PHONON
C.-H. Lin, C.-T. Chia, H. H. Cheng
132/M RAMAN SCATTERING CHARACTERIZATION OF STRUCTURAL AND ELECTRICAL
PROPERTIES IN DEFECTIVE SEMICONDUCTORS
S. Nakashima and Y. Nakatake
133/M RAMAN SPECTRA OF TO PHONONS IN HEAVILY DOPED POLAR
SEMICONDUCTORS
S. 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 SPECTROSCOPIES
R. Sugie, K. Matsuda, M. Yoshikawa, Y. Nagasawa, and H. Harima
SECTION 13
THE SOLID STATE: NON-CRYSTALLINE MATERIALS / MOLECULAR
CRYSTALS / PHASE TRANSITIONS / OTHERS
1/W
RAMAN SPECTRA AND PRESSURE-INDUCED PHASE TRANSITIONS IN ScF3
CRYSTAL
K. 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 STATE
O. Berkesi, T. Körtvélyesi, Cs. Németh and I. Pálinkó
3/W
MICRO-RAMAN STUDY OF SUBSTITUTIONS IN BI-LAYERED COMPOUNDS
P. S. Dobal, A. Dixit and R. S. Katiyar
4/W
STRUCTURAL PHASE TRANSITION IN (Ge2S3)X(As2S3)1-X CHALCOGENIDE GLASSES
O. Gamulin, M. Ivanda and V. Mitsa
5/W
PHASE TRANSITION OF (TEA)2ZnCl4 SINGLE CRYSTALS STUDIED BY RAMAN
G. 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 RUBIDIUM
K. Hermanowicz, M. Maczka, J. Hanuza.
7/W
ANTIFERROELECTRIC PHASE TRANSITION OF BETAINE ORTHO-PHOSPHORIC ACID
COMPLEX STUDIED BY POLARISED INFRARED AND RAMAN SPECTROSCOPY
M. M. Ilczyszyn
8/W
RAMAN STUDIES OF LOCAL-DENSITY FLUCTUATION IN SUPERCRITICAL FLUIDS
K. 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)
CRYSTALS
D. Kirin and V. Mohaček-Grošev
11/W
RAMAN SPECTRA AND PHASE TRANSITIONS IN THE Rb2KScF6 ELPASOLITE
A. 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 RESLULTS
M. L. Larsson, A. Holmgren, and W. Forsling
13/W
DISTINGUISHING DISORDER INDUCED BANDS FROM ALLOWED RAMAN BANDS IN
GRAPHITE
T. 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 CRYSTALS
L. Macalik and J. Hanuza
15/W
RAMAN SCATTERING STUDY OF POTASSIUM HEXATUNGSTATE
M. Maczka, J. Hanuza and A. Waskowska
16/W
STUDIES OF VANADATE LEAD GLASSES USING RAMAN SPECTROSCOPY
D. Maniu, T. Iliescu, I. Ardelean, C. Dem and W. Kiefer
17/W
RAMAN SPECTROSCOPIC STUDY OF NEAR IR RADIATION EFFECTS ON SOLID mAND p-NITROANILINES
T. Misiaszek and M. M. Szostak
18/W
LOW ENERGY VIBRATIONAL MODES OF PTCDA: RAMAN EXPERIMENTS AND
SIMULATIONS
T. 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 SPECTRA
K. 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 K
R. 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 SYSTEM
S. 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 CONTENT
R. Stefan, L. Baia, J. Popp, W. Kiefer and S. Simon
24/W
RAMAN AND IR SPECTRA OF Zn-DOPED LITHIUM NIOBATE CRYSTALS
M-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 ASSIGNMENTS
M. M. Szostak, T. Misiaszek, U. Okwieka and S. Roszak
SECTION 14
INORGANIC / ORGANO-METALLIC / COMPLEX MOLECULES / ORGANIC
SYSTEMS
26/W
CATALYTIC DISPROPORTIONATION OF HYDROGEN PEROXIDE BY MOLYBDATE
IONS STUDIED BY RAMAN SPECTROSCOPY
M. Arab, D. Bougeard, J. M. Aubry, J. Marko, J. F. Paul and E. Payen
27/W
VIBRATIONAL SPECTROSCOPY AND NORMAL COORDINATE ANALYSIS OF 2AMINOPHENOL AND 2-PHENYLENEDIAMINE COMPLEXES
K. 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 SPERMINE
L. 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 SPECTROSCOPY
M. 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 COMPLEX
M. Bolboaca, M. Pfeiffer, D. Stalke and W. Kiefer
31/W
SPIN-CROSSOVER PHENOMENON IN [Fe(phen)2(NCS)2] – RAMAN SPECTROSCOPY
AND DFT CALCULATIONS
G. Brehm, M. Reiher and S. Schneider
32/W
UREA-ACID COMPLEXES STUDIED BY RAMAN SPECTROSCOPY
B. Z. Chowdhry and R. Withnall
33/W
RAMAN SPECTRA OF HEXAGERMAPRIZMAN
34/W
UNDERSTANDING THE VIBRATIONAL BEHAVIOR OF LINEARLY FUSED
HETEROCYCLES
I. Dmitruk,, S. Suto, A. Naumenko, A. Sekiguchi, A. Watanabe, A. Kasuya,
T. Goto
O. 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-4CH3OC7H7NO)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 ACETATES
L. Hajba, J. Mink,, F. E. Kühn, W. A. Herrmann
37/W
FOURIER-TRANSFORM RAMAN AND INFRARED SPECTROSCOPIC ANALYSIS OF 2NITRO-TETRAPHENYLPORPHYRIN AND METALLO-2-NITROTETRAPHENYLPORPHYRINS
J. 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 SOLUTION
F. Jalilehvand, J. Mink, M. Sandström
39/W
KINETIC RAMAN SPECTROSCOPY OF THE HYDROLYSIS OF METHYL PARABENS
A. 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 SOLUTIONS
B. M. Kiernan, H. G. M. Edwards
41/W
RAMAN AND FT-IR SPECTROSCOPY OF MAN-MADE SYNGENITE
J. T. Kloprogge and R. L. Frost
42/W
VIBRATIONAL SPECTRA AND FORCE FIELD STUDY OF SULFITO COMPLEXES OF
RHODIUM
V. 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
PROPERTIES
M. P. M. Marques, C. Gomes, E. van Besien, F. Borges and N. Milhazes,
45/W
RAMAN SPECTROSCOPIC STUDIES OF AZETIDINONE, (S)-(-)-2AZETIDINECARBOXYLIC ACID AND 3-AZETIDINECARBOXYLIC ACID
A. 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-NITROPYRIDINES
J. Michalski, J. Hanuza, M. Maczka, Z. Talik
47/W
RAMAN AND FAR INFRARED SPECTRA OF THE LOW FREQUENCY REGION IN
HOFMANN-TYPE THIOPHEN CLATHRATES
B. Minčeva-Šukarova, L. Andreeva, S. Akyüz and C. A. Koh
48/W
SYNTHESIS AND CHARACTERISATION OF THE COMPLEX OF Mn(II) WITH 6AZAURACIL
L. 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 ENTROPY
G. Molnár, A. Bousseksou, V. Niel, J.-A. Real and J. J. McGarvey
50/W
RAMAN AND INFRARED SPECTRA OF Te2(CF3)2 AND ITS STRUCTURE
D. 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 COMPLEX
M. 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 CLUSTERS
W. 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
THEORY
P. K. Sinha, M. Bolboaca, S. Schlücker, J. Popp and W. Kiefer
631
56/W
ION PAIRING OF ALKALI METAL IONS WITH CARBONATE AND SULPHATE IN
AQUEOUS SOLUTIONS
P. 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-THIOHYDRAZIDE
R. 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 5AZAURACIL
R. P. Tanwar, M. A. Palafox, V. K. Rastogi, D. Tyagi and R. Chandra
59/W
RAMAN SPECTROSCOPIC INVESTIGATION OF Cu(II)-HISTAMINE COMPLEXES
A. Torreggiani, M. Tamba and G. Fini
60/W
FT-RAMAN SPECTRA OF MODEL COMPOUNDS OF RELEVANCE TO LIGNIN
YELLOWING: METHOXYBENZOQUINONE AND TETRAHYDROXYBENZO-QUINONE
H. Tylli
61/W
THE υC=O AND υC-H OSCILLATORS AS VIBRATIONAL SPECTROSCOPIC PROBES TO
C-H···O HYDROGEN BONDS IN KETONES
P. D. Vaz and P. J. A. Ribeiro-Claro
62/W
AGGREGATION PHENOMENA IN CINCHONINE AQUEOUS SOLUTIONS MEASURED
BY RAMAN SPECTROSCOPY
A. Weselucha-Birczyńska and H. Majcherczyk
SECTION 15
MACROMOLECULES AND POLYMERS
63/W
APPLICATION OF FT-RAMAN SPECTROSCOPY FOR ANALYSIS OF PHTHALATE
ESTERS IN PVC PLASTICS
R. W. Berg and T. Nørbygaard
64/W
INTERACTION OF A CONDUCTING POLYMER AND A RUTHENIUM COMPLEX IN
ULTRATHIN FILMS: POTENTIAL APPLICATION IN ARTIFICIAL TASTE SENSORS
C. 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 MATERIAL
G. M. do Nascimento, V. R. L. Constantino and M. L. A. Temperini
66/W
RAMAN MICROSCOPIC STUDIES ON THE ORIENTATION AND CRYSTALLINITY OF
POLYPROPYLENE
A. 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
CHARACTERISATION
A. 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 SPECTROSCOPY
M. Larsson, J. Lindgren, A. Ljunglöf and K-G. Knuuttila
69/W
RAMAN DISPERSION IN POLYACETYLENES: A COMPARISON BETWEEN DIFFERENT
PYRIDYL SUBSTITUTED POLYACETYLENES
R. 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 SPECTROSCOPY
N. 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 MAPPING
H. Sato, S. Sasao, K. Matsukawa, Y. Kita, T. Ikeda, H. Tashiro, Y. Ozaki
SECTION 16
THIN FILMS AND MEMBRANES
72/W
RESONANCE RAMAN AND FT-RAMAN STUDY ON MOLECULAR STRUCTURE OF
AZOBENZENE LB FILMS AND LIQUID CRYSTALS
N. Katayama, N. Hayashi, T. Kato and T. Seki
73/W
BRILLOUIN SCATTERING FROM SPIN WAVES IN Co/Ti MULTILAYER FILMS
Yulong Liu G. G. Siu, and Zhu Ke
74/W
CHARACTERIZATION OF FLUORINE-DOPED SILICON DIOXIDE BY RAMAN
SPECTROSCOPY
K. 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 FILMS
A. Savvinov, S. Bhaskar, S. B. Majumder, and R. S. Katiyar
76/W
VIBRATIONAL STUDIES OF PLASMA-POLYMERISED SILOXANE THIN FILMS
B. C. Trasferetti, C. U. Davanzo and M. A. B. de Moraes
SECTION 17
PROTEINS / PEPTIDES / AMINO ACIDS / ENZYMES / CHROMOPHORIC
BIOMOLECULES
77/W RAMAN SPECTRA OF PUTRESCINE, SPERMIDINE AND SPERMINE POLY-AMINES AND
THEIR N-DEUTERATED AND N-IONISED DERIVATIVES
A. 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-ASPARAGINE
V. Arjunan, S. Periandy and S. Mohan
79/W HEATING OF PROTEIN SOLUTIONS RELATED TO RAMAN EXCITATION BY VISIBLE LASER
LIGHT
N. N. Brandt and A. Yu. Chikishev
80/W VIBRATIONAL AND STRUCTURAL ANALYSIS OF L-ALANYL-ALANINE IN WATER
F. 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 COMPOUNDS
B. 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
SPECTROSCOPY
Q. Huang, M. Laberge, J. Fidy and R. Schweitzer-Stenner
84/W RESONANCE RAMAN INVESTIGATION OF FERRIC M. TUBERCULOSIS CATALASEPEROXIDASE KatG AND ITS ISONIAZID COMPLEX
S. 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 OXYGEN
Y. 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 SITE
V. 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
EXPERIMENTS
M. Laberge, Q. Huang, R. Schweitzer-Stenner, and J. Fidy
88/W SERRS INVESTIGATION OF LINKED MICROPEROXIDASE (MP8) TO BSA USED AS A
STEREOSELECTIVE BIOCATALYST
S. Lecomte, H. Korri-Youssoufi, R. Ricoux and J. P. Mahy
89/W TEMPERATURE-DEPENDENT POLARIZED RAMAN SPECTRA OF DL-ALANINE CRYSTALS
R. 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 SPECTROSCOPY
M. Nagai, Y. Jin, S. Nagatomo, and T. Kitagawa
91/W SPECTROSCOPIC DETERMINATION OF THE SECONDARY STRUCTURE IN PROLINECONTAINING POLYPEPTIDES
R. Petry, H. Klump, D. Palm, J. Popp and W. Kiefer
92/W CHARACTERIZATION OF THE RECOMBINANT SYNECHOCYSTIS CATALASE-PEROXIDASE
AND SELECTED DISTAL AND PROXIMAL MUTANTS
E. 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 STUDY
S. 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 NANOPARTICLES
M. 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
PROTEINS
S. S. Stavrov
97/W MODEL PEPTIDES FOR SILK FIBROIN. A RAMAN STUDY
P. Taddei and P. Monti
SECTION 18
LIPIDS / BIO-MEMBRANES / NUCLEIC ACIDS / VIRUSES / CELLS / TISSUES
98/W
INVESTIGATION OF MICROORGANISMS WITH DIFFERENT SURFACE ENHANCED
RAMAN SUBSTRATES
R. Geßner, B. Hanke, P. Rösch, W. Kiefer and J. Popp
99/W
MAPPING OF SINGLE CELLS IN MICROMETER SCALE BY RAMAN SPECTROSCOPY
C. 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 LINKAGE
D. Němeček, J. Štěpánek, P.-Y. Turpin
101/W DENSITY FUNCTIONAL STUDIES OF THE STRUCTURE AND VIBRATIONAL RAMAN
SPECTRA OF FATTY ACID METHYL ESTERS
R. E. Oakes, J. R. Beattie, S. E. J. Bell and B. W. Moss
102/W RAMAN SPECTROSCOPIC INVESTIGATION ON LIPID BODIES IN XYLEM ELEMENTS
P. 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 SPERMINE
A. 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 COMPLEX
K. Ruszová-Chmelová, J. Štěpánek, P.-Y. Turpin and J. Zachová
105/W PHASE TRANSITIONS IN OLEIC ACID AS STUDIED BY FT-RAMAN SPECTROSCOPY
P. Tandon, G. Förster, R. Neubert, S. Wartewig
106/W CHARACTERIZATION OF EDIBLE OIL BY NEAR IR FOURIER TRANSFORM RAMAN
SPECTROSCOPY
I. Weung and W. Chen
SECTION 19
ARTWORK / 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 MICROSCOPY
T. 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
MALACHITE
W. N. Martens, L. Rintoul, Z. Ding, R. L. Frost, J. T. Kloprogge
SECTION 20
SURFACE / INTERFACIAL PHENOMENA
112/W NEAR FIELD RAMAN SPECTROSCOPY FOR THE STUDY OF THE INTERFACE
BETWEEN TWO LIQUIDS
M. De Serio, A. Bader, R. Zenobi and V. Deckert
113/W RAMAN SPECTROSCOPIC STUDIES OF ALKENE POLYMERISATION CATALYSTS
T. J. Dines and S. Inglis
114/W LOCAL SURFACE CHEMISTRY OBSERVED BY SURFACE-ENHANCED RAMAN
SPECTROSCOPY. ADSORPTION OF CO ON Au
A. Kudelski, B. Pettinger
115/W SERS STUDY OF 2-FORMYLPYRIDINE THIOSEMICARBAZONE (PATS2):
ELUCIDATION OF THE REDUCTION MECHANISM
M. 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 COPPER
K. Zawada, J. Bukowska
SECTION 21
INDUSTRIAL PROCESSES AND ENVIRONMENTAL APPLICATIONS
117/W AN ELECTRODYNAMIC MICROPARTICLE TRAPPING SYSTEM FOR RAMAN
INVESTIGATIONS USING HIGH LASER POWERS
C. Dem, W. Kiefer, M. Lankers and J. Popp
118/W APPLICATION OF SERS FOR IN-SITU DETECTION OF PAH IN SEA-WATER
H. Schmidt, B. H. Nguyen and H.-D. Kronfeldt
SECTION 22
APPLICATIONS OF RAMAN SPECTROSCOPY
IN ANALYTICAL CHEMISTRY
119/W CALIBRATION OF SEVERAL ANTI-TUMOUR DRUGS IN PLASMA – A SELECTIVITY STUDY
C. 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 PROCESS
Y.-S. Li and K. Le
122/W REPRODUCIBLE SURFACE ENHANCED RAMAN MEASUREMENTS IN POLYACRYLAMIDE
GELS
A. Lorén, C. Eliasson, M. Josefson, J. Abrahamsson, K. Abrahamsson
123/W DETERMINATION OF OIL CONTENT AND HUMIDITY IN OLIVES BY FOURIER TRANSFORM
RAMAN SPECTROSCOPY
B. Muik, M. J. Ayora Cañada, A. Molina Díaz, and B. Lendl
124/W QUANTITATIVE ANALYSIS OF HIGHLY FLUORESCENT MODEL PHARMACEUTICAL
TABLETS USING PSEUDO SECOND DERIVATIVES
A. 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 LABORATORIES
F. Weesner and S. Lowry
SECTION 23
MEDICAL (DIAGNOSTIC, IN VIVO) / BIOMEDICAL / PHARMACEUTICAL
APPLICATIONS
126/W RAMAN SPECTRA OF SPICES
B. Z. Chowdhry, R. Withnall and R. Alexander
127/W SYNTHESIS AND CHARACTERISATION OF THE COMPLEX OF Mn(II) WITH 4CHLOROURACIL
V. K. Rastogi, R. P. Tanwar, M. Alcolea Palafox and R. Chandra
128/W POLYMORPHISM OF DRUGS AND SOFT TABLETING: A RAMAN SPECTROSCOPIC
STUDY
A. Schmidt, S. Wartewig and K. M. Picker
129/W RAMAN SPECTROSCOPIC CHARACTERISATION OF TETRACYCLINE DERIVATES
AND THEIR METAL ION COMPLEXES
S. 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 SPECTROSCOPY
Q. Zhou, S. Sun
SECTION 24
APPLICATIONS IN MINERALOGY, GEOLOGY AND OTHER FIELDS
131/W VIBRATIONAL DYNAMICS IN WARDITE-TYPE MINERALS
D. 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 BRAZILWOODS
L. 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
BIOMOLECULES
H. 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 MACEDONIA
G. 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 PHOSPHATES
W. N. Martens, R. L. Frost, J. T. Kloprogge, and Peter A. Williams
137/W ISOMORPHIC SUBSTITUTION IN SOME BIOAPATITES: A RAMAN SPECTROSCOPIC
ANALYSIS
T. N. Moroz, V. G. Kostrovskii and N. A. Palchik
138/W RAMAN SPECTRA AND STRUCTURAL ORDERING OF VESUVIANITES
C. Paluszkiewicz, W. Żabiński
139/W IDENTIFICATION OF INKS AND TONERS FOR PRINTERS: A FORENSIC
APPLICATION OF THE MICRO-RAMAN TECHNIQUE
S. 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 SPECTROSCOPY
I. Száraz, W. Forsling
141/W FT-RAMAN SPECTROSCOPY ON SIEGBURGITE
W. Winkler and M. Musso
EXHIBITORS
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LATE ABSTRACTS
CONTENTS
SECTION 1
THEORETICAL ADVANCES IN RAMAN SCATTERING: VIBRATIONAL ANALYSIS /
MOLECULAR DYNAMICS AND STRUCTURE / BAND SHAPE / BAND INTENSITY
VIBRATIONAL ANALYSIS OF BENZALDEHYDE: RAMAN SPECTRA AND DFT
CALCULATIONS
Z Meić, T. Hrenar, R. Mitrić and G. Keresztury ......................................................... 49
SECTION 3
INSTRUMENTATION / ADVANCED TECHNIQUES / NEAR FIELD / MICRO RAMAN /
IMAGING AND MAPPING / 2D RAMAN SPECTROSCOPY
2-D STOICHIOMETRY DETERMINATION BY OMA RAMAN IMAGING
R.A.L. Tolboom, N.M. Sijtsema, J.M. Mooij, J.D.M. Maassen, N.J. Dam and J.J. ter
Meulen* ....................................................................................................................... 53
SECTION 5
SURFACE ENHANCED SCATTERING
DEVELOPMENT AND CHARACTERIZATION OF SERS-ACTIVE SUBSTRATES FOR
NEAR-FIELD RAMAN SPECTROSCOPY
J. 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 SPECTROMETRY
B. Lendl, N. Leopold, M. Haberkorn, T. Laurell and J.s Nielson .............................. 59
HYDROXYLAMINE REDUCED SILVER COLLOID: A NEW SUBSTRATE FOR SURFACEENHANCED RAMAN SCATTERING
N. Leopold, B. Lendl* .................................................................................................. 61
SECTION 6
NON-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 ............................................................. 65
SECTION 7
RESONANCE RAMAN SPECTROSCOPY
UV RESONANCE RAMAN SCATTERING OF FULLERENES
E. A. Carter*, S. H. Gallagher, R. S. Armstrong, P. A. Lay, P. Paul and
C. A. Reed .................................................................................................................. 69
SECTION 10
ADVANCED MATERIALS: FULLERENE AND CARBON NANOTUBES / DIAMOND / SUPERHARD MATERIALS / OTHER NANOSCALE MATERIALS AND OTHER NEW MATERIALS
CHARACTERIZATION OF GaP AND TiO2 NANOWIRES BY RAMAN SPECTROSCOPY
M. Lamy de la Chapelle, H. X. Han, G. H. Li, C. C. Tang, C. Wang, Y. D. Li and S. S.
Fan .............................................................................................................................. 73
SECTION 13
THE 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 ........................................................ 77
IRRADIATION-INDUCED DISORDERING OF GRAPHITE AND RAMAN SPECTRA
K. Niwase ................................................................................................................... 79
SECTION 17
PROTEINS / PEPTIDES / AMINO ACIDS / ENZYMES / CHROMOPHORIC BIOMOLECULES
SECONDARY AND TERTIARY STRUCTURE OF HUMAN ACID 1–GLYCOPROTEIN BY
HOMOLOGY MODELING AND VIBRATIONAL SPECTROSCOPY: TOPOGRAPHY OF THE HIGHAFFINITY BINDING SITE
V. Kopecký Jr.*, R. Ettrich, K. Hofbauerová, V. Baumruk, V. Karpenko ................... 83
SECTION 20
SURFACE / INTERFACIAL PHENOMENA
LOCAL SURFACE CHEMISTRY OBSERVED BY SURFACE-ENHANCED RAMAN
SPECTROSCOPY. ADSORPTION OF CO ON Au
A. Kudelski*, B. Pettinger ........................................................................................... 87
SECTION 1
THEORETICAL 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
1
Faculty of Science, University of Zagreb, Strossmayerov trg 14, HR-10000
Zagreb, Croatia; e-mail: zmeic@rudjer.irb.hr
2
Humboldt Universität zu Berlin, Institut für Chemie, Brook-Taylor-Str. 2, D-12489
Berlin, Germany
3
Chemical 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 6311+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 3
INSTRUMENTATION / 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*
1
Applied Physics / 2Mathematical Institute, University of Nijmegen
Toernooiveld 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.
6
10
1(a1)
N2
Ambient air
100% methane
O2
3(f2)
Intensity [counts]
5
10
22(f2)
2(e)
H 2O
24(f2)
4
10
3
10
375
380
385
390
395
400
405
410
Wavelength [nm]
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.
3.10 mm wide entrance slit
wavelength * longitude [pixel]
height [pixel]
0.04 mm wide entrance slit
wavelength [pixel]
height [pixel]
579.40 nm
height [pixel]
height [pixel]
576.96 nm
longitude [pixel]
longitude [pixel]
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 5
SURFACE 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 microRaman 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 nearfield 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.at
2
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.
Function Generator
Sagittarius V2
Waste
Holding Coil
Flow-through
Microdispenser
Selection
Valve
Waste
Ultrasonic Levitator
Transmitter
Levitated
Drop
Syringe
pump
Distilled water
Collector Optic of
Raman Spectrometer
Reagents / Samples
Ultrasonic Levitator
Reflector
Raman
Excitation Laser
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
46x10-12 g
-12
Raman Intensity
4.6x10 g
460x10-15 g
230x10-15 g
46x10-15 g
-15
23x10 g
200
600
1000 1400 1800 2200 2600 3000
-1
Wavenumber / cm
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*
1
Institut für Chemische Technologie und Analytik, Technische Universität Wien,
Getreidemarkt 9-164/AC, A-1060 Wien, Austria; blendl@mail.zserv.tuwien.ac.at
2
Universitatea 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 SERSactive 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.
Extinction
300
400
500
600
700
800
Wavelenght / nm
Fig.1. Extinction spectrum of the
hydroxylamine reduced silver sol.
Raman Intensity
(A)
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 9aminoacridine using as SERS substrates the
(B)
Lee-Meisel and the hydroxylamine reduced
200 600 1000 1400 1800 2200 2600 3000
silver colloid. The final concentration of 9-1
Wavenumber / cm
-7
aminoacridine was in each colloid 4x10
M. No significant differences can be found Fig.2. SERS spectra of 4x10-7 M
between the two spectra. Experiments with 9-aminoacridine adsorbed on
other analytes (not shown here) yielded (A) Lee-Meisel, (B) hydroxylamine reduced
similar results. Consequently we conclude silver colloid.
that the colloid properties are comparable
with those produced
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 6
NON-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, in
Handbook of Vibrational Spectroscopy, John Wiley & Sons., Ltd., January (2002).
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, 41304139 (2000).
SECTION 7
RESONANCE 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.au
2
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 325nm excitation
results in a spectrum that differs markedly from that reported in the literature for 257nm
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 cm1 and the
appearance of a new band at 1458 cm1 are two of the characteristic spectral changes
used to monitor the condition of the sample.
Counts
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.
A
B
200
400
600
800
1000
1200
Raman Shift (cm-1)
1400
1600
1800
Fig. 1. Raman spectra of C60 obtained with 325nm 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).
M. S. Dresselhaus, G. Dresselhaus and P. C. Eklund, J. Raman Spectrosc. 27, 351 (1996).
SECTION 10
ADVANCED 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
1
Laboratoire de nanotechnologie et instrumentation optique, Université de
Technologique de Troyes, 12 rue Marie Curie, BP 2060, 10010 Troyes cedex,
France
2
National Laboratory for superlattices and microstructures, Institute of
semiconductor, Chinese Academy of Sciences, 100083 Beijing, China
3
Nanostructures laboratory, Department of Physics, Tsinghua University, 100084
Beijing, China
4
Chemistry 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 13
THE 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 25C to 4550C, and this rendered a change in the NMR-spectrum (two phosphorous signals at 25C, and
four phosphorous signals at 45-50C). 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,Odicyclohexyl 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 - 60C.
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
1200
1000
cm-1 800
600
188
216
308
256
204
190
433
336
400
188
264
337
586
578
544
C
307
515
453
548
578
B
264
338
307
453
514
516
454
554
544
791
588
800
789
A
790
924 892
884
834 812
976
1052
1031
1006
1332 1270
1333
1306
1305 1271
1262
1262
1245
1245
1192
1191
1151
1152
1121
1076
1119 1075
1052
1031
1052
1022
1007
977
1005
975
925
924 893
883
885
832
836 812
812
1346
1400
1332
1305 1270
1262
1245
1191
1151
1122 1075
1445
1370
1373
1346
1445
INTENSITY
1376
1346
1446
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.
200
Fig 1. Raman spektrum of Zn2(O,O-dicyclohexylDTP)4, (A) recrystallized, measured at 40C,
(B)recrystallized, measured at 55C, and (C) not recrystallized, measured at 40C.
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 17
PROTEINS / 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.cz
2
Department of Biochemistry, Charles University, Albertov 2030, CZ-12840
Prague 2, Czech Republic; E-Mail: hofbauer@biomed.cas.cz
3
Institute of Physical Biology, University of South Bohemia, Zámek 136,
CZ-37333 Nové Hrady, Czech Republic; E-Mail: ettrich@greentech.cz
4
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 of
one 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 20
SURFACE / 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 1030
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 1015
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.
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
Fig. 1. Time series of SERS
unusual properties of molecules adsorbed on
spectra of CO at roughened Au“strange”/defects sites which may be of special
electrode. E= +40 mV vs. SCE.
importance in catalysis.
Acknowledgement: AK thanks European Commission for financial support (Marie
Curie Individual Fellowship within 5th Framework Program; project number: HPMF-CT2002-01519)
References
1. S Nie, S R Emory, Science 1102, 275 (1997).
2. K Kneipp, Y Wang, R R Dasari, M S Feld, Appl. Spectrosc. 780, 49 (1995).
3. V A Markel, V M Shalaev, P Zhang, W Huynh, L Tay, T L Haslett, M Moskovits,
Phys. Rev. B 10903, 59 (1999).
4. K Kneipp, H Kneipp, P Corio, S D M Brown, K Shafer, J Motz, L T Perelman, E B
Hanlon, A Marucci, G Dresselhaus, M S Dresselhaus, Phys. Rev. Lett. 3471, 84 (2000).
5. P J Moyer, J Schmidt, L M Eng, A J Meixner, J. Am. Chem. Soc. 5409, 122 (2000).
6. A Kudelski, B Pettinger, Chem. Phys. Lett. 356, 321 (2000).
7. S G Sun, W B Cai, L J Wan, M Osawa, J. Phys. Chem. B 2460, 103 (1999).