CONTRIBUTION OF THE 1ST-ORDER DIFFERENTIAL OF THE POTENTIAL TO THE PRESSURE-INDUCED FREQUENCY-SHIFT OF THE INTRAMOLECULAR VIBRATIONS IN CRYSTAL

Authors
KAWANO H MAEHARA M NIBU Y SHIMADA H SHIMADA R
Citation
H. Kawano et al., CONTRIBUTION OF THE 1ST-ORDER DIFFERENTIAL OF THE POTENTIAL TO THE PRESSURE-INDUCED FREQUENCY-SHIFT OF THE INTRAMOLECULAR VIBRATIONS IN CRYSTAL, Bulletin of the Chemical Society of Japan, 67(8), 1994, pp. 2308-2310
Citations number
17
Categorie Soggetti
Chemistry
Journal title
Bulletin of the Chemical Society of Japan → ACNP
ISSN journal
00092673
Volume
67
Issue
8
Year of publication
1994
Pages
2308 - 2310
Database
ISI
SICI code
0009-2673(1994)67:8<2308:COT1DO>2.0.ZU;2-2
Abstract
The pressure-induced frequency shift of the intramolecular vibrations in crystal was calculated using an atom-atom type intermolecular poten tial. The calculation indicates that the contribution of the first-ord er differential of the potential to the frequency shift is very small when the potential is well approximated.