Polymethylmethacrylate (PMMA), 402, 404
Polymorphic forms of SiO 2 , 467
Polymorphism, 215, 220
Polymorphs, 215, 216, 218, 220
Polyoxymethylene (POM), 404
Polysiloxane, 361–366, 369–372, 374–377,
379, 380, 382, 383, 393, 394, 402, 417
Polyvinylmethylether (PVME), 239
Pore opening (PO) vibrations, 307
Porphyrin, 97–102, 106, 107, 116
Potential energy, 49, 52, 53, 60, 62, 81, 82
Potential Energy Curve (PEC), 52–54, 56, 58
Potential Energy Distribution (PED), 82
Potential Energy Hypersurface, 8
Potential Energy Surface (PES), 53, 54, 63
Primary bound water, 231, 233
Primary Building Unit (PBU), 302
Primitive internal coordinates, 50
Probe molecules, 335–339, 341, 347, 353
Proteins, 140, 156
Provenance studies, 497
Pseudolattice vibrations, 314
Push-pull dyes, 141
Pyridine probe molecule, 333, 336–338, 340,
353
Q
Quadrupole moment, 279, 283
Quadrupole splitting, 276, 282, 283, 290, 291
Quantum chemistry methods, 142
Quantum dot, 97, 98, 103, 105
Quartz, 470, 471
Quasi-molecular elementary unit, 469
Quinone, 102
R
Raman imaging, 161, 172, 181, 182, 184, 187
Raman Optical Activity (ROA), 161, 162, 165
Raman spectroscopy, 124, 134, 199, 201, 216,
219, 334, 335, 345–348, 350, 483–485,
487–492, 498, 500, 508
Rapid-scan, 344
Rare-earth ions, 434, 444
Recoilless emission, 274
Recoil process, 274
Redox sites, 336, 337
Reflectance spectroscopy, 343, 345
Refractive index, 403, 405–407, 409, 418, 419
Reorganization energy, 97, 99, 107, 110, 113,
114, 116, 117
Resonance Raman effect, 123, 125, 132
Resonant absorption, 274, 288
Ring opening (RO) vibrations, 307
Ring vibrations, 475, 477
Rod-in-tube method, 445, 447, 451
Rozenberg and coworkers′ empirical
correlations, 216
Runge-Gross theorem, 27
S
Sayvetz conditions, 60, 61
Scaffold, 142–144
Scaled Quantum Mechanical (Force Field)
method (SQM (FF)), 74
Scaling (scale) Factors (SFs), 49, 64, 65, 68,
69–79, 81, 84–87, 89, 90
Scaling procedures, 49, 52, 61, 63–65, 84, 87,
89, 90
Schrödinger equation, 6–10, 12, 16, 17, 27
Scanning Electron Microscopy (SEM), 432,
442
Secondary bound water, 231–233
Secondary Building Unit (SBU), 302–304,
307–309, 311, 312, 315, 318–320, 324,
325, 328
Second Harmonic Generation (SHG), 140, 151,
156
Self Consistent Field method (SCF), 12
Sellmeier formula, 406
Sextet, 278, 279, 290, 291, 293, 294
Short-range order, 457, 458, 460, 463, 464
Side group modified polysiloxanes, 379
Silicate framework, 320
Silicate glass, 458–462, 464, 466–468,
470–473, 476
Silver doping, 156
Silver nanoparticles, 427, 436, 438, 443
Single cell analysis, 170
Singlet, 277
Single-Walled Carbon Nanotubes (SWCNT),
123, 124, 126, 127, 131, 132, 134, 135
Slater determinant, 10, 11, 13, 26
Sodalite cage, 302
Solid-solid transition, 215
Sorption, 312, 320, 325, 327, 328
Spherosilicates, 361–365, 386, 390, 392, 394
Step-scan, 344
Stimuli-Responsive Polymer System (SRPS),
223
Stimuli sensitive, 224, 225, 250, 257, 259
Stokes effect, 346
Structural properties, 435
Superexchange, 286, 288–290, 296
Surface-Enhanced Raman Scattering (SERS),
435
Surface-Enhanced Raman Spectroscopy
(SERS), 161, 166, 169
Susceptibility, 140
Index
523
Polymorphic forms of SiO 2 , 467
Polymorphism, 215, 220
Polymorphs, 215, 216, 218, 220
Polyoxymethylene (POM), 404
Polysiloxane, 361–366, 369–372, 374–377,
379, 380, 382, 383, 393, 394, 402, 417
Polyvinylmethylether (PVME), 239
Pore opening (PO) vibrations, 307
Porphyrin, 97–102, 106, 107, 116
Potential energy, 49, 52, 53, 60, 62, 81, 82
Potential Energy Curve (PEC), 52–54, 56, 58
Potential Energy Distribution (PED), 82
Potential Energy Hypersurface, 8
Potential Energy Surface (PES), 53, 54, 63
Primary bound water, 231, 233
Primary Building Unit (PBU), 302
Primitive internal coordinates, 50
Probe molecules, 335–339, 341, 347, 353
Proteins, 140, 156
Provenance studies, 497
Pseudolattice vibrations, 314
Push-pull dyes, 141
Pyridine probe molecule, 333, 336–338, 340,
353
Q
Quadrupole moment, 279, 283
Quadrupole splitting, 276, 282, 283, 290, 291
Quantum chemistry methods, 142
Quantum dot, 97, 98, 103, 105
Quartz, 470, 471
Quasi-molecular elementary unit, 469
Quinone, 102
R
Raman imaging, 161, 172, 181, 182, 184, 187
Raman Optical Activity (ROA), 161, 162, 165
Raman spectroscopy, 124, 134, 199, 201, 216,
219, 334, 335, 345–348, 350, 483–485,
487–492, 498, 500, 508
Rapid-scan, 344
Rare-earth ions, 434, 444
Recoilless emission, 274
Recoil process, 274
Redox sites, 336, 337
Reflectance spectroscopy, 343, 345
Refractive index, 403, 405–407, 409, 418, 419
Reorganization energy, 97, 99, 107, 110, 113,
114, 116, 117
Resonance Raman effect, 123, 125, 132
Resonant absorption, 274, 288
Ring opening (RO) vibrations, 307
Ring vibrations, 475, 477
Rod-in-tube method, 445, 447, 451
Rozenberg and coworkers′ empirical
correlations, 216
Runge-Gross theorem, 27
S
Sayvetz conditions, 60, 61
Scaffold, 142–144
Scaled Quantum Mechanical (Force Field)
method (SQM (FF)), 74
Scaling (scale) Factors (SFs), 49, 64, 65, 68,
69–79, 81, 84–87, 89, 90
Scaling procedures, 49, 52, 61, 63–65, 84, 87,
89, 90
Schrödinger equation, 6–10, 12, 16, 17, 27
Scanning Electron Microscopy (SEM), 432,
442
Secondary bound water, 231–233
Secondary Building Unit (SBU), 302–304,
307–309, 311, 312, 315, 318–320, 324,
325, 328
Second Harmonic Generation (SHG), 140, 151,
156
Self Consistent Field method (SCF), 12
Sellmeier formula, 406
Sextet, 278, 279, 290, 291, 293, 294
Short-range order, 457, 458, 460, 463, 464
Side group modified polysiloxanes, 379
Silicate framework, 320
Silicate glass, 458–462, 464, 466–468,
470–473, 476
Silver doping, 156
Silver nanoparticles, 427, 436, 438, 443
Single cell analysis, 170
Singlet, 277
Single-Walled Carbon Nanotubes (SWCNT),
123, 124, 126, 127, 131, 132, 134, 135
Slater determinant, 10, 11, 13, 26
Sodalite cage, 302
Solid-solid transition, 215
Sorption, 312, 320, 325, 327, 328
Spherosilicates, 361–365, 386, 390, 392, 394
Step-scan, 344
Stimuli-Responsive Polymer System (SRPS),
223
Stimuli sensitive, 224, 225, 250, 257, 259
Stokes effect, 346
Structural properties, 435
Superexchange, 286, 288–290, 296
Surface-Enhanced Raman Scattering (SERS),
435
Surface-Enhanced Raman Spectroscopy
(SERS), 161, 166, 169
Susceptibility, 140
Index
523