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Cotton F.A. — Chemical Applications of Group Theory |
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Предметный указатель |
(planar, ) molecules, MO's 219
(planar, ) molecules, MO's, sigma hybrid orbitals 226
(pyramidal, ) molecules, vibrational analysis of 328
(planar, ) molecules, MO's for 219
(planar, ) molecules, MO's for, sigma hybrid orbitals for 226
(tetrahedral, ) molecules, MO's for 209
(tetrahedral, ) molecules, MO's for, MO's for 227
(octahedral, ) molecules, MO's 228
(octahedral, ) molecules, MO's 214
231
, axis, definition 22
, vibrational modes 333
, vibrational analysis 334
, vibrational analysis of 337
definition 27
4n + 2 rule 158
Abelian group 7
Allene, symmetry of 57
Allyl group, LCAO-MO treatment of 181
Ammonia molecule: symmetry of 57
Ammonia molecule: vibrations of 333
Angular momentum, coupling of 258
Angular momentum, coupling of,orbital 256
Angular momentum, coupling of,spin 256
Asymmetric unit 348 350
Atomic orbitals 205—209 254
Atomic wave functions 205—209
Benzene, LCAO-MO's of 142
Benzene, LCAO-MO's of, resonance energy 148
Bicyclooctatriene, LCAO-MO treatment of 166
Bond order, definition in MO theory 165
Boranes 231
Bragg equation 402
Bravais lattices 369
Butadiene, LCAO-MO's for 196
Butadiene, LCAO-MO's for, cyclization to cyclobutene 198
Cage compounds 230
Capping, of clusters 237
Center of inversion 22
Centering: of 2D lattices 356
Centering:of 3D lattices 369
Character tables for double groups 297 443
Character tables, compilation of 426—436 II
Character tables, definition 90
Chirality: of crystals 408
Chirality: of molecules 34
Chirality: of space groups 410
Classes: definition 13
Classes: of symmetry operations 50
Classes: orders of 15
Cluster compounds 230
Complexes, magnetic properties 279
Complexes, magnetic properties, spectra 279
Configuraton interaction 176
Configuraton interaction in naphthalene spectrum 176
Conjugate group elements 13
Conrotatory ring opening 199
Cope rearrangement 203
Correlation diagrams, for ligand field splitting 265
Correlation field 344
Correlation table, for and its subgroups 437
Crystal field theory 282
Crystal systems 375 380
Crystallographic point groups 378
Crystallographic point groups, projection diagrams 447
Crystallographic point groups, table of 379
Cuboctahedron 49
Cyclic groups: definition 10
Cyclic groups: representations for 95
Cyclobutadiene, LCAO-MO treatment of 150
Cycloheptatrienyl group, LCAO-MO treatment of 154
Cyclooctatetraene, 1,3,5,7-tetramethyl 58
Cyclooctatetraene, LCAO-MO treatment of 156
Cyclooctatetraene, symmetry of 59
Cyclopentadienyl group, LCAO-MO treatment of 152
Cyclopentadienyl group, metal complexes of 241 250
Cyclopropenyl group, pi orbitals for 124
d orbitals, splitting: by octahedral field 266 282
d orbitals, splitting: by tetrahedral field 266 276 283
d orbitals, wave functions 207
Delocalization energy, definition 148
Delocalization energy,of benzene 148
Descending symmetry, method of 270
Determinants 421
Diels — Alder reaction 195
Direct product: applications 107
Direct product: definition 105
Direct product: representations of 106
Disorder, in crystals 407
Disorder, in crystals, of nearly-planar molecules 408
Disrotatory ring opening 199
Dodecahedron: pentagonal 46
Dodecahedron: rhombohedral 62
Dodecahedron: symmetry of pentagonal 48
Dodecahedron: trigonal 62
Double groups 297
Eigenfunctions 100
Eigenfunctions, orthonormality of 101
Eigenvalues 100
Eigenvalues, degenerate 101
Electron count, of a cluster 238
Energy level diagrams 138
Energy level diagrams, for pi molecular orbitals 150
Energy level diagrams, ligand field for configurations 276
Energy level diagrams,Tanabe — Sugano type 276
Equivalent atoms 32
Equivalent symmetry elements 32
Ethylene, dimerization of 190
Exclusion rule, in vibrational spectra 338
F matrix 320
f orbitals 441
F-G matrix method 317
F-G matrix method applied: to 319
F-G matrix method applied: to 328
Fermi resonance 338
Ferrocene: MO treatment of 241
Ferrocene: symmetry of 60
Force constants 320
Fundamental transition (vibrational), definition 326
Fundamental transition (vibrational), selection rules 324
G matrix 322
g matrix elements 444
Glide plane: axial 384
Glide plane: definition 350
Glide plane: diagonal 384
Glide plane: diamond 384
Glide plane: table of 385
Great orthogonality theorem 81
Group, abelian 7
Group, Abelian, classes of 13
Group, Abelian, cyclic 10
Group, Abelian, definition 6
Group, Abelian, multiplication table for 8
Group, Abelian, space see “Space groups”
Group, Abelian, subgroups of 12
Hamiltonian operator 100
Hole formalism 274
Hueckel approximation 136
Hueckel approximation for carbocyclic systems 147
Hund's rule 138
Hybrid orbitals 222
Hybrid orbitals, tetrahedral 226
Hybrid orbitals, trigonal bipyramidal 226
Hybrid orbitals, (planar) 223
Hybrid orbitals, (planar) 226
Hybrid orbitals,octahedral 227
Hydrogen peroxide molecule, symmetry of 58
icosahedron 46
Icosahedron, symmetry of 48
Internal coordinates 307
| Internal coordinates, contributions to normal modes 315
Inversion center: definition 22
Inversion center: matrix representation of 71
L-S coupling scheme 257
L-S coupling scheme, states in 259
Lattice, 2D: definition 350
Lattice, 2D: hexagonal 353
Lattice, 2D: oblique 352
Lattice, 2D: rectangular, centered 353
Lattice, 2D: rectangular, primitive 353
Lattice, 2D: rotational symmetry of 354
Lattice, 2D: symmetry of 355 380
Lattice, 2D: types of 351
Lattice, 3D: centering of 370
Lattice, 3D: chiral 410
Lattice, 3D: cubic 372
Lattice, 3D: isometric 372
Lattice, 3D: monoclinic 370
Lattice, 3D: orthorhombic 371
Lattice, 3D: properties of 375
Lattice, 3D: rhombohedral 373
Lattice, 3D: table of 375
Lattice, 3D: tetragonal 371
Lattice, 3D: triclinic 370
Lattice, 3D: types 369
Laue symmetry 383
LCAO approximation 134
LCAO approximation for allyl group 181
LCAO approximation for carbocyclic systems 142
LCAO approximationfor tetramethylene cyclobutane 159
Ligand field theory 253 287
Linear molecules, symmetry of 56
Matrices, adjoint 424
Matrices, block factored 68
Matrices, character of 69
Matrices, conjugate 70
Matrices, definition 417
Matrices, F, see “F matrix”
Matrices, for geometric transformations 420
Matrices, G, see “G matrix”
Matrices, inverse 424
Matrices, multiplication of 418
Matrices, non-singular 425
Matrices, orthogonal 73
Matrices, square 62
Metal carbonyl clusters 235
Methane: photoelectron spectrum of 223
Methane: vibrational analysis 335
Molecular orbital theory: for (planar) molecules 219
Molecular orbital theory: for (tetrahedrai) molecules 209
Molecular orbital theory: for (octahedral) molecules 214
Molecular orbital theory: for type molecules 209
Molecular orbital theory: for carbocyclic systems 142
Molecular orbital theory: for cyclobutadiene sandwich compounds 240
Molecular orbital theory: for dibenzenechromium 246
Molecular orbital theory: for ferrocene 241
Molecular orbital theory: for metal sandwich compounds 240
Molecular orbital theory: general principles 133
Molecular vibrations 304
Molecular vibrations, selection rules 324
Molecular vibrations, wave functions for 325
Motif, crystallographic 348
Mulliken symbols 90
Multiplicity see “Spin multiplicity”
Naphthalene: electronic spectrum of 176
Naphthalene: LCAO-MO treatment of 172
Naphthalene: MO's, tabulation 176
Naphthalene: secular equation for bonding in 139
Normal modes of vibration: genuine 305
Normal modes of vibration: number in a molecule 305
Normal modes of vibration: of 306
Normal modes of vibration: of 333
Normal modes of vibration: symmetry of 304 309
Optical isomerism 34
Orbital angular momentum 255
Orthogonality theorem 81
Orthonormality, conditions for 101
Orthorhombic space groups 397
Orthorhombic space groups, choice of axes 399
Pi bonds, MO's for 227
Planes of symmetry 18
Platonic solids 45
Polar coordinates 205
Polarization, of d-d transitions 289 296
Polarization, of d-d transitions, vibronic 292
Polyhedra, regular 45
Polyhedral boranes 231
Polyhedral boranes, MO's for 233
Products: of group elements 6
Products: of symmetry operations 29
Projection operators 115
Quantum mechanics, relationship to group theory 100
Quantum numbers 254
Quantum numbers for many-electron atoms 257
Quantum numbers for single electrons 254
Reading list 451 Appendix
Reciprocals, of group elements 7
Reciprocals, of group elements, product of 7
Redundant symmetry coordinates 316
Reflection operation, definition 18
Reflection operation, matrix representation of 71
Reflection plane 18
Regular polyhedra 45
Representations, irreducible 81
Representations, of groups 78
Representations, reducible 80
Representations, rules concerning 81
Resonance energy 148
Resonance integral 438
Rotations: improper 27
Rotations: matrix representation of 71
Rotations: proper 22
Rotations: rotation-inversion 376
Rotations: rotation-reflection 27
Russell — Saunders coupling 257
Russell — Saunders coupling, states arising from 259
SALC's 114
Schoenflies notation 41
Secular equations, derivation of 135
Secular equations, symmetry factoring 140
Secular equations, vibrational 318
Selection rules: for cyclization reactions 188
Selection rules: for spectra of complexes 289
Selection rules: vibrational 327
Selection rules: Woodward — Hoffmann 189
Similarity transformation 11
Solid state, effect on vibrational spectra 341
Space groups, 2D 358
Space groups, 2D, diagrams 362
Space groups, 2D, examples 366
Space groups, 2D, list of 359
Space groups, 2D, symmetries 355
Space groups, 3D 388
Space groups, 3D, isometric 399
Space groups, 3D, monoclinic 392
Space groups, 3D, orthorhombic 397
Space groups, 3D, systematic absences for 406
Space groups, 3D, tetragonal 399
Space groups, 3D, triclinic 389
Space groups, 3D, trigonal/hexagonal 399
Space symmetry 348
Space symmetry, one-dimensional 349
Space symmetry, three-dimensional 368
Space symmetry, two-dimensional 358
Spectroscopic 439
Spin, angular momentum 256
Spin, multiplicity 258
Spin, quantum number 258
Stereographic projections 448
Subgroups: definition 12
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