Keyword index, volume 53 (1997)

SPECTROCHIMICA ACTA PART A

ELSEVIER

Keyword index, Volume 53 (1997) Arsine 157, 1705, 2363 Artificial neural networks 1629 Aryl azides 141 Arylazides 129 Assignment of fundamentals 2537 Association 699 Astrochemistry 1079 Astrophysical molecule 485, 1947, 2061 Astrophysical molecules 2457 Asymmetric- asymmetric molecules 2457 Asymmetric tops 1039 Atomic polarizability tensors 2053 Attenuated total internal reflection 981 Auger parameter 933 Avian keratotic biopolymers 81 Axial ligand 433

Ab initio 855, 1211, 1553, 1795 Ab initio calculation 213, 881 Ab initio calculations 189, 1839, 1955,2001,2053,2595 Ab initio force field 811 Ab initio methods 1139 Ab initio molecular geometries and polarizabilities 2053 Ab-initio pseudopotential 1803 Ab initio SCF MO 409 Ab initio self-consistent field molecular orbital calculations 393 Absorption 589, 1743, 2109, 2229 Absorption flattening 1925 Absorption intensities 1365 Absorption spectra 1691, 1941 Absorption spectroscopy 991 Absorption spectrum 1755 Acenaphthylene 2095 9-Acridinamine 1723 Acridinedione dyes 1743 Acrolein 749 Activation energy 471 Adamantane 2079 Adenines 1211 Adsorption 325, 2181 Ag2 0 Colloids 1411 Albumin 1609 Alkali 345 Alkane fluorescence 1637 All-trans retinoic acid 103 Aluminium selenites 1975 AMI 951 Amino acids 927 Aminobenzonitrile 2049 Aminoheterocycle 377 Anharmonic constants 1169 Anharmonic force field 1101,1123,1139 Anharmonic force fields 1079 Anharmonicity constants 1445 Anharmonic progression 1065 Anthracene 2013 9, IO-Anthraquinone 1883, 2195 Apodisation 2245 Aqueous solutions 1941 Aqueous system 451 Aragonite 2347 Archaeology 2373, 2383 Archaeometry 2159 Aromatic compounds 2475 Aromat interaction 2129 Elsevier Science B.V.

Bacterial reaction centre 1485 Bacteriochlorophyll 1485 Bacteriochlorophyll d aggregation model 463 Bacteriopheophytin 1485 Band assignment 811 Band profile 1995 Band strengths 1375 BEDT-TTF 565 Bellamy- Williams equation 377 Benzene 1169, 1995 Benzimidazole 2445 Benzonitriles 2475 Benzothiazolium 1853 Benzoyl-indan-I,3-dione 829 Benzvalene 259 Benzyl azides 1521 Bilirubin 1431, 1609 Bilirubin complexes 1431 Binary liquid mixtures 299 Binding sites 325 Biodeterioration 99 Bismuthine 2363 Bis-oxazolines 1713 Bis(sulfinylamino)sulfane 1955 Bis(trimethylsilyl)amido ligand 495 Blends 2279 Bond length 517 Boron trifluoride 2511 Bovine growth hormone releasing factor 1889 Bovine serum albumin detection 1883 I-Bromonaphthalene 671 Bronz 1833 xxxv

Keyword Index, Volume 53 BSA detection

Conservation science 2159 Copolymcrisation 9 Coriolis interaction 805. 2467 Correlation energy 1139 Coupled-cluster method 1065 Coupling constants 2475 Crown ether 1853 Crystal 2323 Crystal field analysis 495 Crystalline phase 553 Crystallinity 1399 Crystal structure 463, 895 Cyanine dye 1411 Cyanopolynes 1079 Cyclodextrin (,71 Cytochrome 1'450 433

2195

C6Q 679 Cadmium 345 Calcium oxalate 99 Calixarenes 479 Carbanion 1795 Carbonates 1981 Carbonate species 943 Carbon atom 1761 Carbonyl 491 Carbonyl frequency 377 Carbonyl stretching modes 1153 Carboxyfluorescein 1655 Cardiovascular tissue 1901 Carotenoid spheroidene 381 Catacondensed class 2013 Catalysis 2481 CCD 2411 C2-chiral 1713 Cell activation 1645 Cellulose acetate 1697 Centrifugal parameters 329 Ce0 2 943 Cerium(lII) ion 1633 Cesium 1981 CF,S02NH2 189 Charge delocaJization 1225 Charge transfer 2495 Charge-transfer 679 Charge-transfer transition 2079 Chemical analysis 2373 Chemical deoxygenation 1405 Chemometrics 199 Chlorofluoromethane 1123 Chlorophyll-carotenoid interaction 2659 Chlorosilane 981 Chlorosulfonyl isocyanate 1581 Chlorothiophenes 1439 CH,OH 943 Cholesterol 1495, 1901 Chromophores 2229 Circular dichroism 471, 1515 C1SDfTQ] wavefunction 1163 5'-CMP 637 CN bands 1527 CNDO/S calculations 605 CNDO/S-CI calculations lSI I'C NMR 361 Cofluorcsccnce 2579 Collagen 190I Collisional narrowing 537 Complexation 679 Complication 1507 Composites 2279 Conformation 623. 749. 1459, 1913, 2695 Conformational analysis 129, 141

Decomposition 2139 Delayed luminescence 1485 Denaturation 471 Density functional theory 259, 721, 1257, 2537 Deprotonation 2153 Derivative spectra 829 Derivatized cyclodextrins 451 Detergent 671 Deuteration 867 Deuterium substitution 979 Dewar Benzene 259 2,3-diaminonaphthalene 1671 Diamond anvil cell 2253 Dibucaine 1663 Dicyanoacetylene 707 1,3-Dicyanobenzene 721 Dideuteromethane 1445 Difference spectroscopy 1033 2,6-Difluorobenzonitrile 2505 Dimensionless displacement 1955 Dimerization 1419 3,4-Dimethylenecyclobutene 259 1,4-Dinitrobenzene 811 Diode laser spectroscopy 537 Dipalmitoylphosphatidylcholine 1783 Diphosphate 345 Dipole-dipole interactions 1663 Dipole moment 1743 Dipole moment functions 1051 Dipole moments 2669 Dispersive monochromator 2411 DNA 2701 DNA assay 781 2-DNMR: Bcnzodiazepines 1825 Donor-acceptor 679 Donor-acceptor interaction 2079 Double-well 353 Dual fluorescence 905 Dual luminescence 457 Dye 1853,2159

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KCI'II'IIrd lndcx, Volum e 53

F luo rescen ce investi gations 1723 Fluorescence quenching 165 Fl uorescence s pectra 76 1.247 1 F luor escence spectros co py 42 1. 22 1'1 F luorimetric de termi nation 1671 F luo rimetry 1883, 219 5 Fluo ro ma lono nit rile 200 1 Forbidd en t ra nsition s 805 Force co nstant 517 Force co ns tants 2023 , 2033 . 2363 . 2435 Force field 1795 Force fields 575, 1153,1179,121 1. 1301 , 1325. 1347. 1365. 2505 Formyl benzon aphthyridines 2565 F ou rier transform 877, 1021, 2023. 2275, 25 11 F ouri er transform infrared spectroscopy 623, 1913 Fourie r tran sfo rm Raman spectrosc opy 107 , III Fo urier transfo rm spectro scopy 1701 Franki nce nse 2393 Free-volume 317 FTI R 55, 1955. 2347. 2363. 269 5 FT · IR spec t ra 575. 1507 FT-Ra mam spec tros co py SI rT-Raman 2245. 2253. 2261. 2267. 2279. 2295. 2303. 23 U . 2323. 2333 . 234 1. 2347. 2373.238 1 . 239 3. 240 3 FT Ra ma n 162 1. 2363 FT -Raman 7hY. Y69 FT Ra ma n 25. 35. 55 !-I-Ram an spe ct roscopy 9. 9') . 119. 693. 2571 fT-SE RS 103 F u nctional force field 1241 F un d a men tal modes 234 7

Effective ind uced bo nd charges 205.\ Eigenvecto rs 204 1 Elastin 1901 Elcctrochrom ic effec t 1719 Electrolysis 2 153 Electron do no r -accep to r inter action 2587 Elect ro n ic a bso rp tio n spectra 509 Elect ro nic ca lculations 2595 Elect ro nic paramete rs 353 Electronic spectra 749, 247 \ Electronic spectra of na pht ha lene 151 Electronic struc ture 811, 2565 Electronic transition 605 Electronic tran sition s 509 , 261 5 Electron impact 665 Electron - p ho non 565 Elect ron spin co uplin gs 1133 Elect ron withd ra wing groups 2109 Electrostat ic 1833 Electrosta tic forces 22 19 Emissio n 2 109 Emi ssion spect ra 1547 Em ission spectrosco py 1527 Emodin 769 Encr gy transfer 1515 Enhancement 325 Entha lpy 67Y En tha lpy o f fusion 244 5 Ep inephrine 1671 EP R 637. 2235 EP R spectra 2605 ESCA electro n bind ing en ergies 2 115 ET 565 K-(E Th[Cu(NCShl 565 Et ha ne m ixtu res 248 1 Et hanol crystals 1969 Et hidium bromi de 2701 Eu' + fluo rescen ce 2579 Exc iplex 1637 Explosives 1375 Exte rna l sta ndard 25

Gallium(l lI) chlori de 2129 Gas analysis 835 Gasoline 199 Gas-phase 2139 Ge ls 969 G er manium det ector 2411 5'-G M P 637 Gold isla nd films 103 Graphite plasm a 1527 G uaiacyl lign in 1621

Fact or a na lysis 1629 Factorial design 733, 1563 Far-infrared 485, 1947 Far infrared ab so rp tio n 1701 Fa r infra red laser 2467 Far-infrared lase r lines ')7Y Far infr ared laser s 2457 Far-i nfrared laser s !lOS Fe rmi resonan ces 1065 Fibres 2311 3 H o ur ophorcs 1609 Fluorescein 1515. 1645 Fl uorescence 317,353 , 471. 589 , 693. 1419 , 15 15. 1633, 1637, 1645, 1655, 1743. 201 3. 2701 Fluorescence enhanceme nt 2579

Hal f-sca tt e ring problems I IS9 Ha miltoni a n 41\5 . 206 1. 2457 Il ami lto nia n matrix I 139 Har m on ic frequenc ies 329. 1153. 1225 II -bo ndi ng interact ions 1691 II D exchan ge 248 1 Hea tin g 226 1 Hea vy a tom effec t 1735 Hc(l ) 49 1 H em e electr on ic structu re 433 Hem e grou p 1033 xxxvii

Keyword Index , Volume 53 Hem ocyan in 471 Hemoproteins 433 High resolut in 157 High resoluti on 1677 High temperatu res 23 13 lH N M R 361 H-NMR spec troscopy 913 l H-N M R spectrosc o py 451 H 2 0 /D 2 0 vib rations 183 Holmium atom 1803 Holmium dimer 1803 Hors eradi sh peroxidase 433, 1033 Hu cke! pa rameters 2587 Human hair 1021 Hydr oca rbon solvents 1495 Hydr ogen atoms 655 Hydrogen bond 2559, 2695 Hydrogen bonding 377, 479, 867, 2067, 2615 Hydrogen bonds 685, 1969 Hydrogen bond vibration 927 Hydroph obic interacti on 1615 Hydroquinon e 2595 Hydr oxyap at ite 693 3- Hyd roxyflav one 457 Hyperfine anisotropy 2235 Hyp ericin 769 Hypervalent tin 5 I 7

Iodosilane s 213 Ionic interactions 643. \981 Ionization potentials 335 IR 36 1, 1795.2649 IR and Raman spect ra 8 19 IR band intensity 707 IR inten sities 1839 IR spectra 959. 2067 IR spec trosco py 943 IR stud ies 2559 Isot op e lab eling 220 1 Isot op ic su bstitutio n 1005. 2481 Ivor y 2403 J design at ion s

353

Kinetic analysis 233 Kinetics 2303 K ubo parameter 1995 La 3 +

2579 antibiotics 2649 I.an gmuir- Blodgett 173 Langmuir-Blodgett films 1485 Lantan oid (III) 353 Lanthanide cluster 1803 Lanthanide determination 829 Lapi s lazuli 597 Laser ablatio n 1527 La ser-induced fluore scence 1901 Laser liquid s 761 La ser ph otol ysis 233 La ser R am an 2505 LB films 531 t .n-llpopeptide 623. 1913 Leakage 1645 Lichen 99 Ligand field parameters 433 Light-h a rvestin g complex 1925, 2659 Lin ear dichroism 129, 141, 605, 2095 Linear dichr oism spectroscopy 2615 Lipid composition 2219 Lipids 2235 Lipid vesicles 421 Lipoproteins 1495 Lipo some 457 Liquid crysta l 1325 Liquid ph ase 995 Liquid solution 2425 t.-iscl eucine 927 Local anesthetics 1663 Local mode limit 845 Local mode s 329 Low pH form 1465 Low temperature 589, 1969 Low temperature absorption 789 Low temperature IR 207 Low- tem perature matrices 2559

P-Iactam

Inclu sion complex 671 Ind an etrionc 225 Ind oles 575 Inelastic neutron scauering 927 Inela stic neutron spectrosco py 2333 Infrared 377, 565, 1677, 2139. 2245, 2333 Infrared and Raman spectra 2001 Infrared intensities 733, 1225, 1563. 2115 Infrared laser spectroscopy 1755 Infrar ed spectra 553,855,867, 895. 1375, 1969,2209,2435, 2467 Infra red spectrometry 1005 Infrar ed spectroscopy 119,129,141, 1867 Infrared spectru m 183.189,213, 685, 1975.25 11 InGaA s detector 2411 Initi at or s 2295 Inorg an ic pigm ent s 597 Int en sity 1947, 2457 Intensity reference 2267 In tercalati on binding 78 1 Intercalat ion co mpo unds 1761 Int erm olecul ar If -sh ect 1889 Intern al co nve rsio n rate 1813 Int ern al rotat ion 979 Internal rot ation studies 1701 Int ersystem cro ssing 1813 Intramolecular ESPT 905 Intramolecular excited-sta te proton transfer 457 Invert ebrate 471

xxxviii

Keyword Index, Volume 53 Mo04 tetrahedra 685 Multichannel detection 2411 Multivariate analysis 199 Mutant 2201 Mycosubtilin 1913 Myoglobin 433 Myopia 1507 Myrrh 2393

Luminescence 2679 Lymphocytes 1655 Magnesium (II) complexes 1713 Magnetic circular dichroism 433 Magnetic susceptibility 433 Mammalian 2403 Mammalian biopolymers 81 Marker band 1621 MAS NMR 2201 Mass spectrometry 91 Matrix effects 2525 Matrix IR spectra 2553 Matrix isolation 129, 141, 855, 959 Medieval pottery 597 Mellitic acid 2579 Melts 2313 Membranes 2235 Mercapto-thiadiazole 2571 Metal acetylacetonate 218\ Metal carbonyls 995 Metal complexes 637 Metal complexes in nanosize droplets 2525 Metal ion complexation 2649 Metalloporphyrins 613, 1195 Methanol 485,805,979, 1947. 206l, 2467 Methyl bromide 1677 Methyl group 491 Methyl mercaptan 2457 I-Methyluracil 855 Micellar aggregation 1615 Micellar solutions 1419 Micelle stabilized RTP 1405 Microanalysis 2411 Microscopy 2383 Microviscosity 317 Microwave 2061 Millimeter-wave spectroscopy 835 Mimic of solutions in cells 2525 Mitochondria 1655 Mixed ligand complexes 789 m-Nitrobenzonitrile 2041 Modeling 1325 Molecular dynamics 1285 Molecular energies 335 Molecular geometry 1163 Molecular impurities 835 Molecular modeling 1347 Molecular modeling techniques 1273 Molecular orbital calculations 733, \563, 21\5 Molecular orientation 53\ Molecular parameters 979 Molecular spectroscopy 1677 Molecular symmetry 2595 Molten salts 1981 Monitoring I. 9, 91 Monoketone 491

Near infrared 2411 Near-infrared 2323 Nickel catalyst 2627 Nickelphosphides 933 Nicotinic acid 1697 NIR-FT Raman images 67 NIR-FT-Raman spectroscopy 91 NIR spectroscopy 1901 N -methylpyrazole 1383 1064-nm FT-Raman spectrum 1783 NMR 1663, 2481 NMR chemical shift 2425 NMR spectroscopy 1459, 1521 N,N' -bis(2-pyridinyl)-1 ,3-benzene-dicarboxamide 1459 NN bond 88\ NOE 1459 Noise 2261 Non-destructive analysis 1621 Non-ionic surfactants 1615 Normal coordinate 749 Normal coordinate analysis 553, 1005, 2209, 2363 N -(3-pyridinyl)-2-pyridinecarboxamide 1459 Nuclear magnetic resonance 545 Nucleophilic attack 517 o-Chloranil 2587 Octacoordinated structure 1941 Octane number 199 Opal 2341 Optical purity measurements 451 Optical spectra 495 Order 2313 Order parameter 2235 Organically modified alkoxysilanes 545 Organic solvent 623 Organometallic label 1867 Orientation 325 Orientation factor 605 Ortho-substituted thiocyanatobenzenes 361 Osmium hexafluoride 991 Overtone Spectroscopy 881 Oximes 2295 Oxocarbon 233 Oxygen A-band 537 Palladium 1595 PEEK 2279 Pentaerythritol 655 xxxix

Key word Index , Volume 53 Polyynes and polyynenitriles 2053 Porph in 589 Porphyrin 2701 Por phyrin-keto nes 613 Porph yrins 613 Pot ent ial energy 1051, 1091 Potential energy distributions 204 1 Potent ial energy function s 11 33 Potent ial energy surfaces 1189 Powder Iineshape 2235 Precu rsor-support interact ion 2627 Pre-exponent ial factor 1405 Pre-reson ance Ram an 103 Pre resona nce Raman effect 1955 Pressure 2253, 2695 Pressure broadening 537 Principal components 733, 1563, 2115 Prismane 259 Protein s 1867 Prot on ation 613 Prot on -condu cting solids 1767 Proton tran sfer 2067 Protot ype 1285 Pseud ogarn ets 353 Pt(Il ) an d Pd(ll ) comp lexes 819 Pulsed ENDOR 1465 Pur ines 1735 Pyrene 1405 Pyrid ine 1595 Pyrornellitic acid 2579 Pyrrolidine derivat ives 2537

Peptide 2695 Peptizat ion 969 Perd euteropolyethlene 119 Peroxides 55 Perturbation -resonance model 1101 Pesticide fena rimol 2679 PET 95 1 Petroleum fuels 199 PETjxPHB 951 pH effect 1735 Phenylalan ine 1629 Phosphin e oxides 8 19 Phosphorescence 225 Phosph orescence lifetime 1405 Phot oacou stic spectra 1485 Phot oacoustic spectroscopy 151 , 1705 Photochemical reaction 1883,2195 Photoch rornic effect 1719 Pho todi ode ar ray 2411 Pho toelectron spectr oscopy 335, 1761 Pho to-isomerizati on 913 Pho tolysis 2553 Phot oselection 129. 141 Phot osensitized fibres 1547 Photosynthesis 1925, 2201, 2659 Photosynthetic specimens 2229 Photosystem II 1465 Phthalic anhyd ride 225 Phthalonitrile 721 Picolinic acid 1697 Pigment 2159 Pigment compositio n 2229 P K-edge 933 Plan t biomate rials 2685 Platinum(l I) complexes 1537 PM3 semi-empirical calculations 2649 PM 3 semiempirical hamiltonian 2153 Polarizability 2669 Polari zation 605, 1645, 1655 Polar ized Raman spectra 685 Polar tensors 2115 Polyacene molecules 1813 Polybut adiene 2571 Polycyclic aromatic hydrocarbons 151, 165 Polycyclic arom atics 1839 Polydiacetylene 2323 Poly(ether ether ketone) 107 Poly(ether sulpho ne) 107 Poly (glycolic acid) 1399 Polymer blends 107 Polymer force fields 1273 Polymerisation 2303 Polymerizat io n I, 2295 Polymers 11 1, 951,2279,2313 Polysiloxanes 130I Polyvinylacetat e I Poly(vinyl alcoho l) 2275

Quadrupole splitting 433 Qu an titative analyses 2267 Quan titat ive Raman a nalysis 25 Quantum chemical a nalysis 2 129 Qua ntum chemist ry 1325 Qua ntum mecha nical studies 1723 Quantum yield 233, 2013 Quantum yields 2471 Quartic forcefield 1169 Quarti c force field 1039 Qu aternar y ammo nium surfactants 2701 Quen ch ing 2701 Quin ine 421 Qu inolines 335 R26 2201 Radical a nion 1553 Ram an 199, 565 Raman excita tion profile 501 Raman intensities 2053 Raman lines 1547 Raman microscop y 597, 2159 Raman scattering 877, 1411. 1439 Ram an spect ra 501, 643,867,895, 1853, 2435 Raman spectrosco py I. 381, 95 1, 1021, 1399, 1767, 1981, 2275, 24 11, 2685 xl

Keyword Index, Volume 53 Silver colloids IOJ Silver surface 325 Simplex method 1995 Single crystal 2605 Single crystal spectra 867 Singlet - triplet absorption in naphthalene 151 Singular value decomposition 1189 Skeletal optical mode 1783 Small model molecules 1273 Soft collision model 537 Sol- gel materials 545 Solid-state polymerisation 67 Solid surface 1735 Solid thiazyl chloride 207 Sols 969 Solvent 509 Solvent effects 1743 Solvents 905 Solvent shift methods 2669 Spectra 1833 Spectral 1537 Spectral distortion 1783 Spectroelectrochcmistry 1719 Spectrophotometry 829 Spectroscopic constants 1091 Spectroscopic parameters 1123 Spectroscopic probe 1867 Spectroscopic studies 1713 Spectroscopy 299, 589, 613, 1051 Spermine 1633 Spin label 2235 SQM 1211 Squaric acid 959 Stability 471 Staining kinetics 1645 Standard entropies 2445 Stibene 2363 Stimulation 1655 Stress 2253 Stretched PE 605 Stronitianite 2347 Structure 345 Studies 4-phenylthiosemicarbazide 1537 Styrene 9 Styrylcyanines 3J7 Substituent effects 361 Subtilisin 1515 Superconductors 1241 Supcrionic 1833 Supersoxide disrnutase 2209 Supramolecular chemistry 479 Surface complexes 2495 Surface enhanced fluorescence 173 Surface-enhanced Raman scattering 1853. 2495 Surface enhanced Raman spectra 1439 Surface-enhanced resonance Raman scattering 1853 Surface-enhances resonance Raman scattering 173

Raman spectrum 183, 189, 213, 1383, 1581, 1975 Raman tensor 409 Rare-earth bisphthalocyanine 531 Rare earth orthophosphates 895 Reaction centre 381 Red edge excitation 1609 Red shifts 2109 REES emission 1609 Resins 2373, 2393 Resolution 2245 Resonance polyads 1039 Resonance Raman 1431 Resonance Raman effect 50 I Resonant two-photon ionization spectroscopy 2595 Reverse micelles 905 Rhodamine 6G 1419 Rhodium 1595 Rhodium carbonyl complexes 1005 Rhodobacter sphaeroides 1485 Rhodopseudomonas oiridis 1485 Rivanol 781 Robinetin 905 Room temperature 225 Room temperature phosphorescence 1735 Room-temperature phosphorescence 671 Rotation 2261 Rotational structure 1755 Rotational temperature 665 Rovibration 1677 Rovihrational distribution 665 Rovihronic levels 1133 Rubidium uranyl trinitrate 501 Ruthenium 1595 Samarium(III) 495 Sample heating effect 1783 Sampling 2261 Sampling techniques 35 Sanocrysin 183 Saturated waxes 2685 Scaled quantum mechanical method Scale factors 2537 Secondary structure 1507, 1889 Selective relaxation rates 1663 Selective scattering 1925 Self-assembly 981 Semi-empirical 749 Semiempirical calculation 951 Senile cataract 1507 Sepiolite 2627 SERS 103, 769 SERS active sites 2495 Sieve effect 1925 Silanization 981 Silica 2341 Silicate 2341 Silver colloid 1439

1195

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Keyword Index, Volume 53 Surface Raman spectroscopy Surfactants 165 Surfactin 623 Symmetry 995 Synthesis 91 Syringyl lignin 1621 Systemic hypertension 1507

Tautomeric form 1521 Tautomerism 699,1211, 1723 Temperature dependence 2425 Temperature sensitivity 35 Terephthalonitrile 721 Terminal-methyl position 913 7,8,17,18- Tetrabrorno-S, I 0, 15,20-tetraphenylporphrin Tetraisopropyltitanate 969 T 2g phonon mode 2253 Thermal lens spectrometry 1419 Thermogravimetric analysis 895 Thermolysis 2181 Thermophysical properties 1301 Thin water films 981 Thiosulfate vibrations 183 Thiouracil binding 1033 Thiouracil derivatives 1033 Thymine 393, 409 Time-resolved fluorescence 1637 Ti0 2 particulate film 1719 Titania 969 Titan's atmosphere 707 TNI dimers 2153 Torsion 485,805,881,979, 1947,2061,2457,2467 Transferability 2033 Transform theory 501 Transition metal 1257 Transition moment 605 Transition state 1285 1,2,4-Triazole-thione and N-methyl derivatives 699 Tribology III Tricalciumphosphate 693 Trifluoromethanesulfonamide 189 Trimesic acid 2579 Trimethylenecyclopropane 259 Triphenyl 2363 Triple point temperature 2445 Tryptophan fluorescence 1615 Turbidity 1889 y-Turns 1913 p -turns 623, 1913 Tutton salt 2605 Two atomic oscillator 517 Two-photon excitation 1637 Tyrosine 1629 Tyrosine Z 1465 Ubiquinone 1553 Ultraviolet absorption

Ultraviolet photoelectron spectroscopy Umbrella inversion 353 Unpaired electrons 2153 lJV-VIS absorption spectra 605 UV-visible absorption 2553, 2679 UV /visible spectroscopy 233 UV -VIS spectra 531

1595

491

Vanadium 1833 Vanadium oxide 2181 Vapor pressure 199 Vapor pressures 1375 Vapour phase spectra 1839 Vibration 1833 Vibrational analysis 1365, 2023, 2033, 2079, 2537 Vibrational assignment 721, 1445 Vibrational energies 1179 Vibrational energy 1101 Vibrational force fields 1195 Vibrational frequencies 733, 1065, 1257, 1347, 156.'. 1767 Vibrational frequency 1163 Vibrational mode 393 Vibrational relaxation 1995 Vibrational- rotational energy levels 1091 Vibrational spectra 259,345,699,749,811,1195,1211,1241, 1383, 1553, 1581 Vibrational spectrum 2095 Vibrational states 1179 Vibration - rotational transitions 1705 Vibration - rotation interaction parameters 845 Vibration - rotation spectrum 157 Vibrations 2049 Vibration spectroscopy 643 Vibration spectrum 655 Vibronic structure 789 Vibronic transitions 991 Vinylacetate I Vinyl imidazole 9

2109

Water 2275, 2333 Water molecule 1163 Water molecules 299 Wave number 2565 Wavenumbers 2445 Weinschenkite-type compounds

895

XAES 933 XANES 933 Xanthate 2139 XPS 933 X-ray diffractometry 895 XY 3 type molecule 845 Ylide

1795

Zero-order normal coordinate 2041, 2049 Zn pheoporphyrin d dimer 463

1691 xlii