266
Index
Homomorphism, 11, 14, 172, 173, 175
Hückel theory, 84, 87, 106
Hydrocarbon, 85, 95, 97
I
Icosahedron, 35, 38–40, 154, 170, 217
Indistinguishability, 110, 123
Induction, 32, 51, 69, 71–76, 78, 93, 96, 99,
148–150, 158, 207, 208, 210–214, 249
Integral, 12, 84, 114, 115, 127, 134
hopping, 84
overlap, 114, 115, 127
resonance, 84
Intensity, 140, 143, 144, 148
Intra-ligand (IL) transitions, 138, 144, 145, 147
Inversion, 2, 17, 18, 34, 40, 42, 44–47, 61, 62,
109–112, 167, 180, 251, 252
Irrep, see representation, irreducible
Isolobal analogy, 155
Isomorphism, 28, 172
Isotope shift, 83
J
Jahn, 128
Jahn–Teller effect, 70, 128
Judd, ix, 134, 161
K
Katzir, 103, 112
Kinetic energy, 80, 88, 89, 109
Klein, 27, 171–173, 176, 178, 179, 189, 257
see Cayley
four-group, 27
Kobayashi, ix, 44, 49, 261
Köppel, 132
Kramers’ degeneracy, 106
Kronecker delta, 12, 13, 65
Kroto, 38, 49
L
Lagrange theorem, 31
Lagrangian, 80
Lanthanides, 69
Le Bel, 36
Leapfrog, 156, 157, 159
Lie groups, 165, 190
SO(3), O(3), 35, 163, 164, 167, 172, 173,
175, 204, 210, 237
SU(2), U(2), 171–173, 175, 179, 189, 246
Ligand orbitals, 140, 144, 145
Ligator, 138–140
Lijnen, ix, 121, 160, 170, 190
Linear dichroism, 138, 139, 161
Linearly polarized, 46
Lipscomb, 38, 48
London, 88
London approximation, 89
Longuet-Higgins, 109–112, 261
Lulek, ix, 149, 161
LUMO, 98, 158
M
Magnetic, 21, 41, 42, 46, 47, 63, 69, 87–91,
104, 110, 113, 127, 146–148, 153, 159,
170, 173, 180, 181, 184, 187–189, 205,
206, 253, 254, 260
see Faraday
see London
dipole, 89, 113, 127, 159, 253, 254
field (B), 47
flux, 91
symmetry breaking, 41, 69, 205, 206
Mallion, ix, 84, 97, 101, 102
Malone, 40, 49
Manifold, 100, 124, 125, 135, 168, 188
Manolopoulos, 156
Martins, 170
Mass-weighted coordinates, 80, 82
Matrix, 3, 4, 6, 7, 10–16, 19, 22, 23, 45, 51–54,
56, 59, 60, 63, 65, 73–75, 77, 80, 81,
83–85, 90, 92, 97, 98, 106–108, 114,
115, 126, 127, 129, 131, 135, 159, 164,
165, 167, 170–175, 179, 180, 182,
186–189, 245–247, 251, 253, 257–260
adjacency, 84, 85
circulant, 85
complex conjugate, 13, 14, 16, 63, 171,
173, 174
diagonalization, 54, 84
element, 14, 22, 23, 54, 59, 64, 73, 74,
83–85, 92, 108, 115, 116, 126–132,
135, 137, 140, 142, 143, 147, 164, 172,
173, 175, 183, 253
orthogonal, 16, 19, 63, 163, 172, 245, 247
trace, 59, 60, 64, 83, 115, 127, 167, 170
transposed, 10, 16, 171
unitary, 11, 14–16, 19, 57, 107, 127, 163,
171, 179, 181, 246
Matsuda, 44, 49
M(CO) 3 fragments, 155
Melvin, 149, 161
Methane, 76
Mexican hat potential, 131, 132
Mingos, 156, 161
Miura, 93, 102
Molecular-symmetry group, 109
Monopole, 153
Mulliken, 62
Mulliken symbols, 62, 191
Index
Homomorphism, 11, 14, 172, 173, 175
Hückel theory, 84, 87, 106
Hydrocarbon, 85, 95, 97
I
Icosahedron, 35, 38–40, 154, 170, 217
Indistinguishability, 110, 123
Induction, 32, 51, 69, 71–76, 78, 93, 96, 99,
148–150, 158, 207, 208, 210–214, 249
Integral, 12, 84, 114, 115, 127, 134
hopping, 84
overlap, 114, 115, 127
resonance, 84
Intensity, 140, 143, 144, 148
Intra-ligand (IL) transitions, 138, 144, 145, 147
Inversion, 2, 17, 18, 34, 40, 42, 44–47, 61, 62,
109–112, 167, 180, 251, 252
Irrep, see representation, irreducible
Isolobal analogy, 155
Isomorphism, 28, 172
Isotope shift, 83
J
Jahn, 128
Jahn–Teller effect, 70, 128
Judd, ix, 134, 161
K
Katzir, 103, 112
Kinetic energy, 80, 88, 89, 109
Klein, 27, 171–173, 176, 178, 179, 189, 257
see Cayley
four-group, 27
Kobayashi, ix, 44, 49, 261
Köppel, 132
Kramers’ degeneracy, 106
Kronecker delta, 12, 13, 65
Kroto, 38, 49
L
Lagrange theorem, 31
Lagrangian, 80
Lanthanides, 69
Le Bel, 36
Leapfrog, 156, 157, 159
Lie groups, 165, 190
SO(3), O(3), 35, 163, 164, 167, 172, 173,
175, 204, 210, 237
SU(2), U(2), 171–173, 175, 179, 189, 246
Ligand orbitals, 140, 144, 145
Ligator, 138–140
Lijnen, ix, 121, 160, 170, 190
Linear dichroism, 138, 139, 161
Linearly polarized, 46
Lipscomb, 38, 48
London, 88
London approximation, 89
Longuet-Higgins, 109–112, 261
Lulek, ix, 149, 161
LUMO, 98, 158
M
Magnetic, 21, 41, 42, 46, 47, 63, 69, 87–91,
104, 110, 113, 127, 146–148, 153, 159,
170, 173, 180, 181, 184, 187–189, 205,
206, 253, 254, 260
see Faraday
see London
dipole, 89, 113, 127, 159, 253, 254
field (B), 47
flux, 91
symmetry breaking, 41, 69, 205, 206
Mallion, ix, 84, 97, 101, 102
Malone, 40, 49
Manifold, 100, 124, 125, 135, 168, 188
Manolopoulos, 156
Martins, 170
Mass-weighted coordinates, 80, 82
Matrix, 3, 4, 6, 7, 10–16, 19, 22, 23, 45, 51–54,
56, 59, 60, 63, 65, 73–75, 77, 80, 81,
83–85, 90, 92, 97, 98, 106–108, 114,
115, 126, 127, 129, 131, 135, 159, 164,
165, 167, 170–175, 179, 180, 182,
186–189, 245–247, 251, 253, 257–260
adjacency, 84, 85
circulant, 85
complex conjugate, 13, 14, 16, 63, 171,
173, 174
diagonalization, 54, 84
element, 14, 22, 23, 54, 59, 64, 73, 74,
83–85, 92, 108, 115, 116, 126–132,
135, 137, 140, 142, 143, 147, 164, 172,
173, 175, 183, 253
orthogonal, 16, 19, 63, 163, 172, 245, 247
trace, 59, 60, 64, 83, 115, 127, 167, 170
transposed, 10, 16, 171
unitary, 11, 14–16, 19, 57, 107, 127, 163,
171, 179, 181, 246
Matsuda, 44, 49
M(CO) 3 fragments, 155
Melvin, 149, 161
Methane, 76
Mexican hat potential, 131, 132
Mingos, 156, 161
Miura, 93, 102
Molecular-symmetry group, 109
Monopole, 153
Mulliken, 62
Mulliken symbols, 62, 191