Low-melting compounds (cont.)
neutron powder diffraction measurements,
146
nucleation, 144
one-off crystallisation experiments, 144
recrystallisation methods, 146
X-ray powder diffraction/spectroscopic
methods, 144
Low-melting examples, 162–164
M
Macromolecular photocrystallography, 251–
252
Matériaux de l’Institut Lavoisier (MILs), 186
Mephedrone, 177
Merrill-Bassett DAC, 153–155
Metal organic frameworks (MOFs), 142, 258
coordination polymers, 186–188
functional materials at pressure
molecular magnetic materials, 183–185
spin-crossover complexes, 185–186
high-pressure diffraction studies, 179
intramolecular conformational changes,
179–182
M-M and M-L bonds compressibility, 179–
182
NLC behaviour, 178
organic materials, 178
pressure-induced bond formation and
breaking, 182–183
structure/property relationships, 179
Metastable states, 201, 202, 205, 207, 234, 244
Molecular magnetic materials, 183–185
Molecular photocrystallography, 252–254
Monochromatic X-ray radiation
copper trimer molecules, 257
excitation process, 256
excited state geometries, 257, 258
irreversible photoinduced charge transfer
process, 259
light-on/light-off data collection strategy,
255
pump-probe experiments, 255
reaction cavity, 257
stroboscopic methods, 256
synchrotron radiation, 255
Mössbauer spectroscopy, 185, 202, 207, 254
Multi-crystal methods, 231
N
Negative linear compressibility (NLC), 178
Neutron diffraction, 7, 8, 20, 30–32, 55, 59, 63,
154–156, 159
Nitrite (NO 2 ¯) systems, 203–206
Nitrosyl (NO) systems, 207
Non-nuclear attractor (NNA), 179
Nucleation, 144, 146, 156
O
Organic materials
alcohols, 159–162
amino acids, 167–168
halogenated compounds, 162–167
pharmaceutically relevant materials, 168–
178
P
Paracetamol, 148–150, 176
Pharmaceuticals
chlorothiazide, 168–170
chlorpropamide, 170–173
dalcetrapib, 173
fluconazole, 175
ibuprofen, 174–175
illicit materials, 176–178
indomethacin, 175
paracetamol, 176
tolazamide, 174
Photoactive yellow protein (PYP), 251
Photochemistry
linkage isomer systems, 203–209
photocrystallographic methodology, 209–
223
pump-probe photocrystallography, 223–234
Photocrystallography
chemical-/cryo-trapping methods, 243
development of, 242
Laue methods, 247–250
linkage isomers, 203
macromolecular, 251–252
molecular, 252–254
photoactivated excited state (ES), 243
pump-probe, 223–234
SCXRD and in situ photoexcitation, 203
steady-state and pseudo-steady-state
methodologies, 209–223, 244–245
stroboscopic/pump-probe methodologies,
245–247
sub-picosecond and XFEL methodologies,
250–251
timescales, dynamic processes, 242, 244
Photodifference maps, 233
Photosalient processes, 242
Pink-Laue method, 247–248
Piperazine, 176
Piracetam, 149–151
276
Index
neutron powder diffraction measurements,
146
nucleation, 144
one-off crystallisation experiments, 144
recrystallisation methods, 146
X-ray powder diffraction/spectroscopic
methods, 144
Low-melting examples, 162–164
M
Macromolecular photocrystallography, 251–
252
Matériaux de l’Institut Lavoisier (MILs), 186
Mephedrone, 177
Merrill-Bassett DAC, 153–155
Metal organic frameworks (MOFs), 142, 258
coordination polymers, 186–188
functional materials at pressure
molecular magnetic materials, 183–185
spin-crossover complexes, 185–186
high-pressure diffraction studies, 179
intramolecular conformational changes,
179–182
M-M and M-L bonds compressibility, 179–
182
NLC behaviour, 178
organic materials, 178
pressure-induced bond formation and
breaking, 182–183
structure/property relationships, 179
Metastable states, 201, 202, 205, 207, 234, 244
Molecular magnetic materials, 183–185
Molecular photocrystallography, 252–254
Monochromatic X-ray radiation
copper trimer molecules, 257
excitation process, 256
excited state geometries, 257, 258
irreversible photoinduced charge transfer
process, 259
light-on/light-off data collection strategy,
255
pump-probe experiments, 255
reaction cavity, 257
stroboscopic methods, 256
synchrotron radiation, 255
Mössbauer spectroscopy, 185, 202, 207, 254
Multi-crystal methods, 231
N
Negative linear compressibility (NLC), 178
Neutron diffraction, 7, 8, 20, 30–32, 55, 59, 63,
154–156, 159
Nitrite (NO 2 ¯) systems, 203–206
Nitrosyl (NO) systems, 207
Non-nuclear attractor (NNA), 179
Nucleation, 144, 146, 156
O
Organic materials
alcohols, 159–162
amino acids, 167–168
halogenated compounds, 162–167
pharmaceutically relevant materials, 168–
178
P
Paracetamol, 148–150, 176
Pharmaceuticals
chlorothiazide, 168–170
chlorpropamide, 170–173
dalcetrapib, 173
fluconazole, 175
ibuprofen, 174–175
illicit materials, 176–178
indomethacin, 175
paracetamol, 176
tolazamide, 174
Photoactive yellow protein (PYP), 251
Photochemistry
linkage isomer systems, 203–209
photocrystallographic methodology, 209–
223
pump-probe photocrystallography, 223–234
Photocrystallography
chemical-/cryo-trapping methods, 243
development of, 242
Laue methods, 247–250
linkage isomers, 203
macromolecular, 251–252
molecular, 252–254
photoactivated excited state (ES), 243
pump-probe, 223–234
SCXRD and in situ photoexcitation, 203
steady-state and pseudo-steady-state
methodologies, 209–223, 244–245
stroboscopic/pump-probe methodologies,
245–247
sub-picosecond and XFEL methodologies,
250–251
timescales, dynamic processes, 242, 244
Photodifference maps, 233
Photosalient processes, 242
Pink-Laue method, 247–248
Piperazine, 176
Piracetam, 149–151
276
Index