Appendix 1 Useful Data: Correlation Tables and Charts978-1-349-15203-2/1.pdf · benzene derivatives, see Aromatic compounds benzoic acid, infrared spectrum of 35 benzonitrile, infrared

Appendix 1Useful Data: Correlation Tables andChartsInfared Spectroscopy

Solvents used in IR spectroscopy: mulling agents, 54Correlation charts, 60-71

NMR Spectroscopy

Proton NMR:Chemical shift chart, 127Chemical shift tables, 171-5Coupling constant table, 176

Carbon -13 NMR:Chemical shift chart, 192Chemical shift tables, 193-201

Solvents used in NMR spectroscopy, 202

Fluorine-19 NMR:Chemical shift chart, 231

Ultraviolet and Visible Spectroscopy

Chromophores table, 248Solvents used in UVNIS spectroscopy, 257Rules for conjugated dienes, 259Rules for unsaturated carbonyl compounds, 262Aromatic hydrocarbons table, 266Heterocyclic systems table, 267

Mass Spectroscopy

Isotope abundances table, 294Nomogram for metastable ions, 302

Appendix 2Acronyms in Spectroscopy

ACAC Acetylacetonate (NMR)ATR Attenuated total reflectance (lR)

BB

CATCDCICIONP

CIRCOSYCW

Broad band (decoupling) (NMR)

Computer averaging of transients (NMR)Circular dichroism (UVNIS)Chemical ionization (MS)Chemically induced dynamic nuclearpolarization (NMR)Cylindrical internal reflectance (lR)Correlation spectroscopy (NMR)Continuous wave (NMR)

DPM Dipivaloylmethane (NMR)DR Diffuse reflectance (lR)DRIFTS DR infrared FT spectroscopy (lR)DTGS Deuteriated triglycine sulfate (lR)

EIEPRESCAESR

Electron impact or electron ionization (MS)Electron paramagnetic resonanceElectron spectroscopy for chemical analysisElectron spin resonance

FAB Fast atom bombardment (MS)FD Field desorption (MS)FI Field ionizationFlO Free induction decay (NMR)FOD Fluoro-octanedionatoIT Fourier transform (IR, NMR, UVNIS, MS)FTIR Fourier transform infraredFTIR Frustrated total internal reflectanceFTMS Fourier transform mass spectrometryFTNMR Fourier transform NMR

GC Gas chromatographyGC-IR Gas chromatography infraredG~MS Gas chromatography mass spectrometry

A CRONYMS IN SPECTROSCOPY 383HPLC High performance liquid chromatography (formerly

High pressure liquid chromatography)

ICR Ion cyclotron resonance (MS)INDOR Internuclear double resonance (NMR)INEPT Insensitive nuclei enhanced by polarization

transfer (NMR): now superseded by DEPTIR InfraredIR Internal reflectance

LASER Light amplification by stimulated emission of radiationLC Liquid chromatographyLC-IR Liquid chromatography infraredLC-MS Liquid chromatography mass spectrometryLD Laser desorption (MS)LDA Linear diode array (UVNIS)LIMA Laser ionization mass analysisLIMS Laboratory information management systemLIMS Laser ionization mass spectrometryLRS Laser Raman spectroscopy (IR)

MCf Mercury cadmium telluride (IR)MIR Multiple internal reflectance (IR)MRI Magnetic resonance imaging (NMR)MS Mass spectrometry

NMR Nuclear magnetic resonanceNOE Nuclear Overhauser effect (NMR)

ORD Optical rotatory dispersion (UVNIS)

PDA Photodiode array (UVNIS)

RF Radiofrequency

SIN Signal-to-noiseSFC Supercritical fluid chromatographySIMS Secondary ion mass spectrometry

TLC Thin layer chromatographyTMS Tetramethyl-4-silane (NMR)TOF Time-of-flight (MS)

UVNIS Ultraviolet/visible spectroscopy

XPS X-ray photoelectron spectroscopy

Index

absorbancein electronic spectroscopy 251,

270in infrared spectroscopy 48, 88

absorptivity, molar 88, 91, 251acetophenone, infrared spectrum of

25acyl halides, infrared group

frequencies of 82alcohols

infrared group frequencies of 31,82

MS of 310oxygen-17 NMR spectra of 235

aldehyde-ammonias, infrared groupfrequencies of 86

aldehydesinfrared group frequencies of 31,

75MS of 321

alkanes and alkyl groupscarbon-13 NMR spectra of 188, 193,

197infrared group frequencies of 59MS of 308proton NMR spectra of 127, 173

alkenesanisotropic effects in 123, 126carbon-13 NMR spectra of 190, 194,

198infrared group frequencies of 72MS of 310proton NMR spectra of 123, 175UV/VIS spectroscopy of 250,259

alkynesanisotropic effects in 124carbon-13 NMR spectra of 191, 195infrared group frequencies of 74proton NMR spectra of 124

allenesinfrared group frequencies of 72MS of 311

allyl systems, proton NMR spectra of163

amides 153, 163infrared group frequencies of 31,

79MS of 324nitrogen-15 NMR spectra of 235restricted rotation in 79, 130,

214amines

hydrogen bonding in 34infrared group frequencies of 83MS of 324nitrogen-15 NMR spectra of 235

amino acids, infrared groupfrequencies of 78

angular distortion, in UVspectroscopy 269

anisotropic effects in NMR 122annulenes, ring currents in 125aromatic compounds

anisotropic effects in 125carbon-13 NMR spectra of 187, 196,

198infrared group frequencies of 59MS of 311proton NMR spectra of 161, 175ring currents in 125table of UV data on 266UV spectroscopy of 263-66

ATR 92attached proton tests 221attenuated total reflectance (ATR)

92auxochromes 247azides, infrared group frequencies of

74

base peaks, in MS 287baseline corrections 11bathochromic shift 253

BB decoupling 177, 179beamsplitter, in fTIR 45Beer-Lambert law 251,269bending vibrations, in IR

spectroscopy 20benzaldehyde, infrared spectrum of

24benzamide, infrared spectrum of 80benzene derivatives, see Aromatic

compoundsbenzoic acid, infrared spectrum of

35benzonitrile, infrared spectrum of

85benzyl alcohol , proton NMR spectrum

of 117bioluminescence 271biphenyls and binaphthyls

spectroscopy of 268Bloch, Felix 104blue shift, in UV/VIS spectroscopy

253Boltzmann distribution, of spin state

populations 108, 208bombardment energies in MS 307bond angles, influence of, in

infrared absorptions 37"boron, NMR of 106broad-band decoupling, in carbon-13

NMR spectra 178I-butanol, infrared spectrum of 32

carbohydratesinfrared group frequencies of 82oxygen-17 NMR spectra of 235

carbon-13 NMR spectroscopyof alkane carbons 189, 193, 197of alkene cabons 190, 194, 198of alkyne carbons 191, 195of aromatic carbons 187, 196, 198broad-band decoupling (noise

decoupling) in 177of carbonyl carbons 185, 199chemical shift summary chart in

192deuterium coupling in 156, 179gated decoupling in 223NOE in 179, 223proton decoupling in 177tables of chemical shift values in

193-201see also Nuclear magnetic resonance

(NMR) spectroscopy

IND EX 385carbonyl compounds

anisotropic NMR effects in 123carbon-13 NMR spectra of 184, 199infrared group frequencies of 34,

74MS of 320

carboxylate salts, infrared groupfrequencies of 77

carboxylic acid anhydrides, infraredgroup frequencies of 30, 78

carboxylic acidshydrogen bonding in 34infrared group frequencies of 77

CAT, see Spectra summation 11CD 277cells

for infrared spectroscopy 50, 53,94

for UV/VIS spectroscopy 256charge transfer complexes, UV

spectroscopy of 274chelates, IR spectra of 33chemical equivalence in NMR 148chemical ionization in MS 325chemical shift 109

anisotropic effects in 122electronegativity effects in 119and lanthanide shift reagents 169shielding and deshielding in 119standards for (TMS, etc) 110tables of (carbon-13) 193-201tables of (proton) 171-6units of 116van der Waals effects in 122

chemical shift reagents 169chemically induced dynamic nuclear

polarization (CIDNP) 229chiral molecules, NMR spectra of 2142-chlorobutanoic 'acid, proton NMR

spectrum of (at 60, 200 and 500MHz) 166

2-chloropropanoic acid, proton NMRspectrum of 143

chromascans 16, 255chromatography and spectroscopy 14

see also GC-IR, GC-MS, HPLC-MSchromium acetylacetonate 180chromophores 245CI, in MS 325CIDNP 229cinnamic acid, proton NMR spectrum of

136CIR 92circle cell 92

386circular birefringence 278circular dichroism (CD) 277cleavage of bonds, in MS 320color and light absorption 245combination bands, in IR spectra 28computer averaging of transients

(CAT) 11computers and spectroscopy 11contact shift reagents, s.ee Chemical

shift reagentscontinuous wave NMR 112contraction of spectra 11core binding energies, in ESCA 280correlation charts

for carbon-13 NMR 192for infrared absorptions 60-71for proton NMR 127

correlation tablesfor carbon-13 NMR 193-201for proton NMR 173-6for UV absorptions 259, 262, 266-7

COSY 224Cotton effect 278coupling constants

in carbon-13 NMR 178factors influencing 152Karplus's equations for 154in proton NMR 137, 141sign of 141, 205, 210table of 177

Cr(ACAC), 180cross-conjugation 269CWNMR 112cycloalkanes

IR spectra of 38MS of 292

cylindrical internal reflectance(CIR) 94

data handling, in MS 292daughter ions, in MS 286deceptive simplicity in NMR 149decoupling

broad-band 178in carbon-13 NMR 178off-resonance 180in proton NMR 165theory of 202

deformations, in IR 20DEPT 219derivative spectra 11, 236derivatization, in MS 333

INDEX

deshielding, in NMR 119detectors

in IR spectroscopy 41in MS 292

deuteriated triglycine sulfate (DTGS)42

deuteriation 158deuterium coupling in NMR 156, 179deuterium exchange (deuteriation), in

NMR 157diastereotopic molecules 214dienes, trienes, and polyenes, UVflIS

spectroscopy of 259difference spectra 11, 46diffuse reflectance 94directed fragmentation, in MS 333disks, KEr, in IR spectroscopy 50dispersive IR spectrometers 39, 42dodecane, mass spectrum of 308double irradiation 165, 202double resonance, see Double

irradiationdouble-bond equivalent 352doubly charged ions, in MS 286, 311downfield, in NMR 119DRIFfS, see Diffuse reflectance and

FflRDTGS detectors, in IR spectrometers

41

editing, of carbon-13 NMR spectra219

EI, electron impact (bombardment)287

electromagnetic radiation 2, 6absorption of 7

electromagnetic spectrum 2, 4electron paramagnetic resonance

spectroscopy (EPR) 236electron spectroscopy for chemical

analysis (ESCA) 280electron spin resonance spectroscopy

(ESR) 236electronic effects, on infrared

absorptions 36electronic spectroscopy, theory of

249electronic transitions in UV

spectroscopy 249electrostatic analyzers, in MS 291element compositions 283energy units 2, 6

INDEX 387enols, infrared spectra of 33 fragmentation processesEPR 236 in MS 286, 303ESCA 280 directed by derivatization 333

see also XPS 280 directed by functional groupsESR 236 307-25esters factors influencing 304-6

infrared group frequencies of 75 free induction 113MS of 322 free induction decay (FlO) 113

ethanol, proton NMR spectrum of 151 frequencyethers and time 12

infrared group frequencies of 83 units of 2, 22MS of 318 frequency calibration, in IR

ethyl bromide, proton NMR spectrum of spectroscopy 46, 48144 frequency domain 12

evanescent waves, in ATR 92 frequency sweep 112even-electron rule, in MS 305 FT, see Fourier transformsexpansion of spectra 11 furan-2-aldehyde (furfuraldehyde),extinction coefficient 251 proton NMR spectrum of 147

FAR (fast atom bombardment) 327FD 326Fellgett advantage 46, 96Fermi resonance 30FI 326FlO 113field desorption and field ionization,

in MS 326field effects, in IR spectroscopy

36,38field strength

effect ofon complex NMR spectra 165on precessional frequency in NMR 107

field sweep 112field-free regions, in mass

spectrometers 300fingerprint region, in IR

spectroscopy 55fluorescence 271fluorescent brightening agents 273fluorine coupling 155, 231fluorine-19 NMRspectroscopy 230FOD 170forced induction 113Fourier transforms

IR spectrometer 43mass spectrometer 112NMR spectrometer 112, 338UV spectrometer 255

Fourier, Josephand Fourier transforms 12portrait of 1

gas chromatography-IR spectroscopy15

gas chromatography-MS 15, 328gated decoupling 223GC, gas chromatography 14GC-mR-MS 330GC-IR 15GC-MS 15, 328GC-UV 15Golay coils 114GPC, gel permeation chromatography

14graphics displays 11grating monochromators 40group frequencies, in IR 56gyromagnetic ratio 107

halogen compoundsinfrared group frequencies of 86MS of 314

Heisenberg uncertainty principle109, 150, 166

heterocyclic systemsNMR spectra of 162, 196table of UV data on 267UV spectroscopy of 267

heteronuclear coupling 155heteronuclear decoupling, in carbon­

13 NMR spectra 179hexamethyldisilazane 324high performance liquid

chromatography (HPLC) 14

INDEX388Hooke's law on vibrational

frequencies 26HPLC 14HPLC-MS 16,328,330hydrocarbons, infrared group

frequencies of 58hydrogen bonding

in alcohols and phenols 31in carboxylic acids 34in IR spectroscopy 31in proton NMR spectroscopy 132

hydroxy compoundsinfrared group frequencies of 31,

82proton NMR spectra of 170, 176

4-hydroxyacetophenone, carbon-13 NMRspectrum of 103

hyperfine splitting, in ESR 238hypsochromic shift 253

ICR 337imaging in NMR 227imines, infrared group frequencies of

86indene, IR and Raman spectra of 97INDOR spectra 208induction, forced and free 113INEPT, see DEPTinfrared radiation, far, near, and

mid 5,9infrared spectroscopy

correlation charts for 60-71fingerprint region in 55functional group identification in

56hydrogen bonding in 31-4instrumentation in 39-50molecular vibrations in 26-39quantitative aspects of 88sampling techniques in 50-54units in 22

infrared spectrumof I-butanol 32of l-octyne 23of acetophenone 25of benzaldehyde 24of benzoic acid 35of benzonitrile 85of Nujol (liquid paraffin) 21of polystyrene 49of toluene-4-sulfonamide 87

instrumentionIR spectrometer 39-50mass spectrometer 286, 288NMR spectrometer 111-6UV spectrometer 253-6

integrals, in NMR spectra 134integration, of spectra 11interference fringes, measurement of

path length by 90interferograms

in IR spectroscopy 45in MS 338in NMR spectroscopy 113

interferometric IR (FTIR)spectrometer 39, 43

internuclear double resonance (INDOR)208

ion current 286ion cyclotron resonance spectrometer

337ion separation, theory of, in MS 290ion structures, in MS 295ion tube regions 288, 300ionization chambers 289ionization potential 290, 295isoamyl benzoate, IR spectrum of 76isobutyl acetate, carbon-I3 NMR

spectrum of 185isocyanates, infrared group

frequencies of 74isonitriles, infrared group

frequencies of 86isothiocyanates, infrared group

frequencies of 74isotope abundances

in MS 293, 297in NMR 177,230,233table of 294

isotope ratios, in MS 331isotope substitution, in MS 331

J values, see Coupling constants, J(in proton NMR)

Jacquinot advantage 46, 96jet separator, in GC-MS 329

Karplus's equa tions 154KBr disks 52ketenes, infrared group frequencies

of 74

389INDEX

directed fragmentation in 335doubly and triply charged ions in

311electrostatic analyzers in 291even-electron rule in 305factors influencing fragmentation

in 304-6field desorption and field

ionization in 326fragmentation in

directed by derivatization 333directed by functional groups

307-25fragmentation processes in 286,

303GC-MS in 328instrumentation in 286, 288ion cyclotron, resonance

spectrometers in 336ion structures in 295ionization chambers in 289isotope abundances in 293, 297isotope substitution in 331Mclafferty rearrangements in 305,

310, 312, 320magnetic analyzers in 290mass measurement in 298metastable ions in 299molecular ions in 286ortho effects in 324quasi-equilibrium theory (QE1) in

307rearrangement reactions in 305theory of ion separation in 290thermal decomposition in 306tropylium ion in 312,316,332

mass spectrumof 2-methylpentane 288of dodecane 308of n-propylcyclohexane 309

mass-to-charge ratio 285, 291MCT (mercury cadmium telluride)

detector 41menthol

proton and carbon-13 NMR spectra of178

proton NMR spectrum of (at 80, 200,360 and 600 MHz) 167

metastable ionsin MS 299nomogram for identification of 302

2-methylpentane, mass spectrum of 288

ketonescarbon-13 NMR spectra of 185, 199infrared group frequencies of 75MS of 321UVNIS spectra of 250, 261

lactones, infrared group frequenciesof 75

lanthanide shift reagents 169laser desorption 327laser-Raman spectroscopy 95LC, liquid chromatography 14LDA, linear diode arrays, in UV 253library searching of spectra 11light absorption and colour 245LIMA 327limonene, IR spectrum of 73LIMS 327line broadening, in proton NMR 157line width 115linear photodiode arrays 253longitudinal relaxation, in NMR 217

Mclafferty rearrangement, in MS 305,310, 312, 320

mlz values 285, 291magnetic analyzer, in MS 290magnetic equivalence, in NMR 148magnetic resonance imaging (MRI) 227magnetogyric ratio 107magnets, in NMR spectrometers 116mass measurement, in MS 298mass spectra, appearance of 288mass spectrometers 286, 288

double focusing 288inlet systems in 288ion cyclotron 337ion production in 289magnetic scans in 291quadrupole 336recorders in 292resolution in 291time-of-flight 335voltage scans in 291

mass spectrometrybase peaks in 287bombardment energies in 290, 295bond cleavage in 320chemical ionization in 325derivatization in 333

IND EX

anisotropic effects in 122of annulenes 125of aromatic compounds, see Aromatic

compoundsBoltzmann distribution in 108, 208of boron-ll nuclei 106of carbon-13 nuclei, see Carbon-13

NMR spectroscopychemical shift in, see Chemical

shiftchemical-shift reagents in 169chemically induced dynamic nuclear

polarization (CIDNP) in 229of chiral molecules 214correlation tables

for carbon-13 NMR 193-201for proton NMR 171-6

2D 224decoupling in, see Decouplingdeuteriation in 157-8of deuterium nuclei 107, 156double irradiation (double

resonance) in 165, 202of fluorine-19 nuclei 230Fourier transforms in 112, 338heteronuclcar coupling in 155hydrogen bonding in 132instrumentation in 111-6integrals in 134internuclear double resonance

(INDOR) in 208lanthanide shift reagents in 169magnets for 116of nitrogen-14 and -15 nuclei 233non-first-order spectra in 158nuclear Overhauser effect (NOE) in,

see Nuclear Overhauser effectof oxygen-17 nuclei 235of phosphorus-31 nuclei 232precessional motion in 104proton exchange in 150pulsed FT techniques in 112, 338quadrupole broadening in 157relaxation processes in, see

Relaxation processesring currents in 125solvents and solvent effects in

132,202spin-spin splitting (spin-spin

coupling) in 135, 137, 202variable temperature work in 130,

214

3906-methylquinoline, proton NMR

spectrum of 169Michelson interferometer 43microscopy, in FTIR 46microwave radiation 5, 9MIR 92modes of vibration 27molar absorptivity, see Absorptivitymolecular ions, in MS 286molecular vibrations

calculation of stretchingfrequencies of 26

in infrared spectroscopy 27molecular weights (relative molecular

masses) from mass spectra 298monochromators 40MRI 227mulls and mulling agents 52-4multiple internal reflectance (MIR)

92multiplicity

in carbon-13 NMR spectra 178in proton NMR spectra (the (n + 1)

rule) 135multipulse techniques, in NMR 215

natural abundance, in NMR spectra177

nett magnetization vector 214Newton, Isaac 2

portrait of 1nitriles, infrared group frequencies

of 86nitro compounds

infrared group frequencies of 86MS of 324

nitrogen, coupling of, with proton inNMR 157

nitrogen-14 and -15 NMR spectroscopy232

of amides 234of amines 234

I-nitropropane, proton NMR spectrumof 145

NOE, see nuclear Overhauser effectnoise-decoupled carbon-13 NMR spectra

178non-classical norbornyl cations 281non-first-order spectra 158nuclear magnetic resonance (NMR)

spectroscopy

nuclear Overhauser effect (NOE)in carbon-13 NMR 179,223in nitrogen-15 NMR 234in proton NMR 212

Nujol (liquid paraffin), infraredspectrum of 21

Nujol mulls 50

IND EX 391involving NMR only 347involving UVNIS only 351solutions to 363

procaine, proton NMR spectrum of 347propylcyclohexane, mass spectrum of

309proton exchange, in proton NMR 150pulsed FfNMR, see Fourier transformPurcell, E. M. 104

octant rule 279l-octyne, infrared spectrum of 23off-resonance decoupled carbon-13 NMR

spectra 180on-the-fly spectra 15optical brighteners 272optical null IR spectrometers 42optical rotatory dispersion (ORD)

277ortho effects in MS 324overtones, in IR spectra 28oxygen-17 NMR spectroscopy 235

paramagnet ic relaxation agents 169parent ions 286path length in IR spectroscopy

measurement of 90variable, cell 51

PDA 253peak matching 299phenols

infrared group frequencies of 31,82

MS of 317phosphorescence 271phosphorus compounds, infrared group

frequencies of 86phosphorus-31 NMR spectroscopy 232photodiode arrays 253polarization transfer 211, 223polarized light 277polystyrene, infrared spectrum of 49poly-ynes and eneynes, UV

spectroscopy of 261potassium bromide disks 52precession 104precessional frequency 105

effect of field strength on 107problems

conjoint 353involving IR only 344involving MS only 352

quadrupole broadening 109, 157quadrupole mass spectrometers 336quantitative analysis

in carbon-13 NMR spectroscopy 180in IR spectroscopy 88in proton NMR spectroscopy 134in UVNIS spectroscopy 269

quasi-equilibrium theory (QEn, in MS307

quinones, infrared group frequenciesof 75

Raman spectroscopy 95ratio-recording IR spectrometers 42rearrangements, in mass spectral

fragmentations 305red shift, in UVNIS spectroscopy

252reflectance, in IR spectroscopy 92relative abundances, in MS 287relaxation processes

lanthanide complexes and 169longitudinal and transverse 217in NMR 108spin-spin and spin-lattice 109, 217

resolutionin MS 291in NMR 114, 177

restricted rotationNMR study of 130,214in UVNIS spectroscopy 268

retro-Diels-Alder reaction, in MS305

ring currents, in NMR spectroscopy125

ring inversions, NMR study of 214ring size, influence of, on IR

absorptions 38ringing pattern, in proton NMR

spectra 114

392

rock salt flats, in IR spectroscopy52

rotating frames, in NMR 215

salt plates, in IR spectroscopy 52sampling techniques

in IR spectroscopy 50in UVNIS spectroscopy 256

satellite peaks, from carbon-13coupling 156

saturation, of NMR signals 108selective population inversion (SPI)

208,211,223SFC-MS 16shielding, in NMR 119signal averaging 11, 171signal-to-noise .ratio 115simplification, of complex proton NMR

spectra 165SIMS (secondary ion mass

spectrometry) 328size exclusion chromatography (SEC)

14slit widths 90smoothing, of spectra 11solvent effects

in IR spectroscopy 53in NMR spectroscopy 132in UVNIS spectroscopy 256,258

solventschart of, for IR spectroscopy 54table of, for UVNIS work 257tables of, for NMR work 132, 202

specific rotation 277spectra summation 11, 177spectrochromatograms 16, 255spectroscopic techniques, information

obtainable from 9spectrum editing, in carbon-I3 NMR

219,221specular reflectance 94spin decoupling 165spin quantum numbers 106spin-lattice and spin-spin relaxation

109,217spinning

of nuclei 104side-bands 115

spin-spin coupling (spin-spinsplitting) 135, 137, 202

sterlc inhibition, of resonance 269stretching vibrations, in IR 20

INDEX

styrene oxide, proton NMR spectrum of(with INDOR spectrum) 210

sub-spectra, in carbon-13 NMR 219N-substituted amides, infrared group

frequencies of 79subtraction, of spectra 11, 47sulfur compounds, infrared group

frequencies of 86superconductors 116supercritical fluid chromatography

(SFC) 14sweep coils 112symmetry restrictions, in UVNIS

spectroscopy 276

Tl and 1'2, in NMR relaxationprocesses 109, 219

tandem mass spectrometers 338tetramethylsilane (TMS) 110thermal decomposition, in MS 306thermospray, in HPLC-MS 329thin layer chromatography (TLC) 14thin layer chromatography-IR (TLC-IR)

94thiophenetole, proton NMR spectrum of

(with ClDNP spectrum) 229time domain 12time-of-flight mass spectrometers

335TOF, see Time-of-flight MStoluene, proton NMR spectrum of 103toluene-4-sulfonamide, IR spectrum of

87o-toluidine, IR spectrum of 84tomography, in NMR 229transitions (electronic) in UVNIS

spectroscopy 249transmittance, in IR spectroscopy

48,88transverse relaxation, in NMR 2171,1,2-trlchloroethane, proton NMR

spectrum of 1372,2,2-trlfluoroethanol, proton NMR

spectrum of 155trimethylsilyl ethers, in MS 334triply charged ions, in MS 311tropylium ion, in MS 312,316,332

ultraviolet and visible (UVNIS)spectroscopy

of aromatic compounds 264-6

of benzene derivatives 263of biphenyls and binaphthyls 268of charge-transfer complexes 274of dienes, trienes, and polyenes

259of heterocyclic systems 267of poly-ynes and eneynes 261qualitative applications of 245quantitative analysis by 269stereochemical factors in 268symmetry restrictions in 276theory of 249of unsaturated carbonyl compounds

261ultraviolet/visible radiation 4, 244uncertainty principle, in NMR

measurements 109, 150units

in the electromagnetic spectrum 2in IR spectroscopy 22in NMR spectroscopy 116

unsaturated carbonyl compounds,UVNIS spectroscopy of 261

upfield, in NMR 119

vacuum ultraviolet spectroscopy 258van der Waals deshielding 122variable path-length cell 51, 55variable temperature NMR 215velocity of light 3

IND EX 393vibrational coupling in.IR

spectroscopy 29vibrational frequencies

calculation of 26factors influencing 29

vibrational modes, in alkyl groups27

vinyl systems, proton NMR spectra of163

4-vinylpyridine, proton NMR spectrumof 348

virtual coupling 163

wave nature of light 2wavelength, units of 2, 22wavenumber, units of 2, 22Woodward rules

for dienes and trienes 259for unsaturated ketones, etc 261

XPS (X-ray photoelectronspectroscopy) 280

zeugmatography in NMR 229zinc selenide cells, in IR

spectroscopy 94zwitterions, in IR spectroscopy 78