DIPOLE DERIVATIVE DISTRIBUTION - A USEFUL ADJUNCT TO THE POTENTIAL-ENERGY DISTRIBUTION

Authors
Citation
Wl. Qian et S. Krimm, DIPOLE DERIVATIVE DISTRIBUTION - A USEFUL ADJUNCT TO THE POTENTIAL-ENERGY DISTRIBUTION, Journal of physical chemistry, 97(45), 1993, pp. 11578-11579
Citations number
3
Categorie Soggetti
Chemistry Physical
ISSN journal
00223654
Volume
97
Issue
45
Year of publication
1993
Pages
11578 - 11579
Database
ISI
SICI code
0022-3654(1993)97:45<11578:DDD-AU>2.0.ZU;2-Q
Abstract
The infrared intensity of a normal mode is shown to be composed of pro jected contributions from dipole derivatives in displacement coordinat es onto the dipole derivative in the normal coordinate. Such a dipole derivative distribution provides insights into the origin of the band intensity not generally obtainable from the potential energy distribut ion.