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Wilson E.B. — Molecular Vibrations. The Theory of Infrared and Raman Vibrational Spectra |
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Предметный указатель |
Intensity, isotope effect on 191ff.
Intensity, of overtone and combination bands relative to fundamental bands 43
Intensity, of Raman spectrum 43 53 161
Intensity, of Rayleigh scattering 48ff.
Intensity, of spectral lines 38
Intensity, resonance effect on 198
Intensity, summation over a band 163ff.
Intensity, summation over a band, exact, for symmetric rotor 164
Interaction constants, in kinetic energy 26 63
Interaction constants, in potential energy 169 177
Interaction, of rotation and vibration 275 281 367ff.
Interaction, of vibrations see Resonance
Interaction, perturbation operator for 308
Intercomparison of force constants in different molecules 175
Internal coordinates 27 54
Internal coordinates, bending of bond out of plane 58
Internal coordinates, bond bending 56 303
Internal coordinates, bond stretching 55 303
Internal coordinates, character of 106 109ff.
Internal coordinates, equivalent, sets of, form reducible representation 109
Internal coordinates, force constants in 64 170 174ff. 253ff.
Internal coordinates, kinetic energy in 62 255ff.
Internal coordinates, may permute with plus or minus sign 118
Internal coordinates, potential energy in 64 170 254ff.
Internal coordinates, secular equation in 64
Internal coordinates, symmetry 115
Internal coordinates, symmetry, factoring of secular equation by 347ff.
Internal coordinates, symmetry, for CH 257ff.
Internal coordinates, torsion 60
Internal coordinates, transformations, to cartesian coordinates 55
Internal coordinates, transformations, to normal coordinates 74
Internal coordinates, transformations, to symmetry coordinates 117ff.
Internal coordinates, valence angle bending 56 303
Internal rotation 202ff.
Internal rotation, free 202
Internal rotation, free, factoring of secular equation in case of 205
Internal rotation, hindered 202
Internal rotation, hindered, nature of potential barrier 202 206
Internal symmetry coordinates 117ff.
Internal vibrational angular momentum 278 284 367
Invariance, of characteristic values of matrix 264
Invariance, of kinetic energy to symmetry operations 88 90 349
Invariance, of potential energy to symmetry operations 88 89 348
Invariance, of spherical part of polarizability 52 360
Invariance, of sum of diagonal components of polarizability 360
Invariance, under isotopic substitution 171 182 192
Inverse, matrix 295
Inverse, matrix, of product of matrices 296
Inverse, matrix, polarizability 360
Inverse, of a symmetry operation 81
Inverse, transformation 20
Inversion doubling 201
Inversion, through a center 79 103
Inversion, through a center, of molecule 200
Irreducible representation 97
Irreducible representation, direct products of 331
Irreducible representation, occurs times in reducible representation 99 100 113
Irreducible representation, orthogonality of 97 341ff.
Irreducible representation, reduction in a subgroup 121 135 333ff. 350
Isomorphic groups 91 320
Isotope effect, vibrational, for small mass difference 188ff. 231
Isotope effect, vibrational, influence of anharmonicity 183
Isotope effect, vibrational, on intensities 191ff.
Isotope effect, vibrational, potential energy invariance 171 182 192
Isotope effect, vibrational, product rule 183ff.
Isotope effect, vibrational, product rule, effect of translation and rotation 184 248—250
Isotope effect, vibrational, sum rules for 186ff. 192
Isotope effect, vibrational, use of, for assignment of vibrational frequencies 182 188ff.
Isotope effect, vibrational, use of, for determining force constants 171 182
Isotope effect, when symmetries differ 185 249
Iteration, characteristic values and vectors by 226ff.
Ivash, E. V. 207
Jahn, H. A. 370
James, II. M. 39 222
Jeans, J. H. 14
Johnston, M. 182 370
Joos, G. 3
Karplus, R. 273
Kemble, E. C. 9 39 162 232 279
Kennard, E. EL 6
Kettering, C. F. 232
Kilpatrick, J. E. 117
Kimball, G. E. 118 206
Kincaid, W. M. 226
Kinetic energy, and matrix 62 307
Kinetic energy, classical, general ease 273ff.
Kinetic energy, classical, rotating, vibrating molecule 277
Kinetic energy, contains no cross terms for symmetry coordinates of different species 115
Kinetic energy, factoring in symmetry coordinates 115
Kinetic energy, in cartesian coordinates 25
Kinetic energy, in internal coordinates 62
Kinetic energy, in internal coordinates, for CH 255ff.
Kinetic energy, in symmetry coordinates 129
Kinetic energy, in symmetry coordinates, for CH 261ff.
Kinetic energy, in symmetry coordinates, numerical checking 264
Kinetic energy, interaction constants in 26 63
Kinetic energy, invariance under symmetry operations 88 90 349
Kinetic energy, of degenerate vibrations 106
Kinetic energy, of simple harmonic oscillator 20 34
Kinetic energy, symmetry of 87
Kinetic energy, transformation from internal to symmetry coordinates 127ff.
King, G. W. 362 363
Kivelson, D. 182
Kohlrausch, K. W. F. 3
Kohn, W. 234
Kramers, II. A. 3 49
Kron, G. 232 237 238
Kronecker delta symbol 16
Kronig, R. L. 6
La Costa, L. J. B. 203
Landsberg, G. 3
Langseth, A. 188 240
Laslci, G. 2
Lassettre 10
Leckie, A. H. 4
Lecomte, J. 2
Legendre function, associated 356
Lindholm, E. 194
Line of nodes 286
Linear combinations of degenerate normal coordinates 19
Linear molecules 31 361
Linear molecules, rotation-vibration spectra, band types 363
Linear molecules, rotation-vibration spectra, degeneracy 362
Linear molecules, rotation-vibration spectra, energy 302
Linear molecules, rotation-vibration spectra, selection rules, infrared spectrum 363 364
Linear molecules, rotation-vibration spectra, selection rules, Raman spectrum 365 366
Linear rotor see Linear molecules
Linear transformation 20 91 297
Linearly polarized incident light in Rayleigh and Raman scattering 47 51 52
Linnett, J. W. 177 178 180—182
Lippman, C. 121 129
Liquid state 3
Liquid state, violation of selection rides in 146
Littlewood, D. E. 77 322
Loofbourow, J. R. 2
Lord, R. C., Jr 2 193 240
Low frequencies, separation from high frequencies 74 311
MacDougall, D. P. 232
MacLane, S. 16
Magnetic dipole, radiation due to 39
magnetic quantum number 50 363
Magnitude of total angular momentum , and its component 362
Malhiot, R. J. 59
Mandestamm, L. 3
Many, A. 232 239
Margenau, II. 44 215 273 275 293
Mass-weighted cartesian coordinates 14
Mass-weighted cartesian coordinates, potential energy in 15
Matheson, L. A. 162
Matossi, F. 2
| Matrices 293ff.
Matrices, characteristic equations of 214
Matrices, characteristic values of 209 222—229 299—301
Matrices, characteristic vectors of 209ff. 222—229 300
Matrices, commutation of 294 295 302 315
Matrices, complex conjugate of 295
Matrices, components of 297
Matrices, conformability of 298
Matrices, conjugate transpose of 296
Matrices, constant, multiplication by 294
Matrices, definition of 293
Matrices, deflation of 228
Matrices, determinants of 295
Matrices, diagonalization of 301
Matrices, direct product of 294
Matrices, eigenvalues of 299
Matrices, elements of 293
Matrices, equality of 293
Matrices, Hermitian form 298
Matrices, invariance of 264
Matrices, normal coordinate problem, treatment by 309
Matrices, notation 293
Matrices, partitioning of 298 311
Matrices, product of 294
Matrices, product of, inverse of 296
Matrices, quadratic form of 297
Matrices, scalar product of 297
Matrices, similarity transformations of 301
Matrices, submatrices of 298 311
Matrices, sum of 293
Matrices, transpose of 295
Matrices, transpose of product of 296 (see also Matrix; Matrix types)
Matrix notation, summary 293ff.
Matrix types, column 297
Matrix types, constant 294
Matrix types, diagonal 294
Matrix types, hermitian 29ff. 300 301
Matrix types, inverse 295
Matrix types, nonsingular 295
Matrix types, null 294
Matrix types, orthogonal 296
Matrix types, positive definite 298 301
Matrix types, real 296
Matrix types, reciprocal 295
Matrix types, row 297
Matrix types, semidefinite 298
Matrix types, singular 295
Matrix types, square 299
Matrix types, symmetric 296 301
Matrix types, unit 294
Matrix types, unitary 296 300 301
Matrix types, zero 294 (see also Matrices)
Matrix, dipole moment integrals 38 156
Matrix, perturbation, for force constant adjustment 231
Matrix, perturbation, for small mass changes 189 231
Matrix, perturbation, for vibration-rotation interaction 368
Matrix, polarizability 44 (see also Polarizability integrals)
Maxwellian distribution of rotational velocities 6
Mechanical frequencies of vibration 194
Mechanical models for solution of vibration problems 232
Meiboom, S. 232 239
Meister, A. G. 61 182 303
Miller, F. A. 240 265 268 269
Minors of secular determinant 68ff.
Mixing of wave functions 198
Mixture of valence and central forces 1 79
Mode of zero frequency 22ff.
Models for study of molecular vibrations, electrical 232ff.
Models for study of molecular vibrations, mechanical 232
Modes of vibration see Normal vibrations
Molecular model 4
Molecular structure from infrared and Raman studies 10
Moment of momentum see Angular momentum
Moments of inertia 275
Moments of inertia, dependence or vibrational state 369
Moments of inertia, effective 369
Moments of inertia, influence on vibrational isotope effect 184 248—250
Moments of inertia, instantaneous 275
Moments of inertia, of asymmetric rotor molecules 361
Moments of inertia, of linear molecules 361
Moments of inertia, of spherical rotor molecules 361
Moments of inertia, of symmetric rotor molecules 361
Moments of inertia, principal 284
Mulliken, R. S. 98
Multiple potential minima 200—207
Multiplication, by circuit analogue 233
Multiplication, of characters 320
Multiplication, of matrices 291
Multiplication, of species 331
Murnaglian, F. D. 77
Murphy, G. M. 44 77 82 98 115 215 273 275 293
Murray, F. J. 232 234 236
Mutual exclusion, rule of 246
N. 202
Naturally polarized incident light in Rayleigh and Raman scattering 4—7ff.
NH, construction of symmetry coordinates 120
NH, inversion of 200
NH, reduction of cartesian coordinate representation 107
NH, reduction of of internal coordinate representation 110
Nielsen, H. II. 203 273
Nielsen, J. 11 117
Niggli, P. 82
Nodes, line of 286
Nondegenerate species see Species
Nonsingular matrix 295
Normal coordinates 19
Normal coordinates, characters of 94
Normal coordinates, degenerate 93 107
Normal coordinates, degenerate, effect of symmetry operations on 93
Normal coordinates, degenerate, elliptical motion in 19
Normal coordinates, degenerate, polar 352
Normal coordinates, determination of 71ff.
Normal coordinates, independence of 18
Normal coordinates, matrix treatment of 309
Normal coordinates, polarizability expansion in 48
Normal coordinates, potential energy in 20 193
Normal coordinates, species of 92
Normal coordinates, species of, for CH 242
Normal coordinates, species of, for CH 112
Normal coordinates, species of, for nondegcnerate 93
Normal coordinates, symmetry of higher terms in potential function 196
Normal coordinates, transformation to internal coordinates 72 73
Normal modes see Normal vibrations
Normal vibrations, classical theory 17
Normal vibrations, degeneracy of 18 106
Normal vibrations, degeneracy of, components have equal 107
Normal vibrations, determination of 17 19ff. 71ff.
Normal vibrations, of zero frequency 22ff. 281
Normal vibrations, properties 17
Normal vibrations, sometimes dominated by one internal coordinate type 111
Normal vibrations, species of 92
Normal vibrations, symmetry of 106
Oppenheimer, J. R. 6 171 273
Orbital valence force field 181
Order, of a group 85
Order, of a subgroup 86
Orientation of degenerate coordinates 116 119ff.
Orthogonality theorem for irreducible representations 341ff. 247 332 352ff.
Orthogonality, of Hermite functions 37
Orthogonality, of irreducible representation 97 341ff.
Orthogonality, of wave functions, rotational 52
Orthogonality, of wave functions, translational 40
Orthogonality, of wave functions, vibrational 12
Page, L. 6 273—275 277
Parr, R. G. 140
Pauli, W. 8
Pauling, L. 9 35 38 197 240 287 352
Penney, W. G. 240
Perlis, S. 293
Perturbation method, for force constant adjustment 231
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