THE EFFECT OF AN ELECTRIC-FIELD ON THE VIBRATIONAL FREQUENCY OF CN

Authors
BAUSCHLICHER CW
Citation
Cw. Bauschlicher, THE EFFECT OF AN ELECTRIC-FIELD ON THE VIBRATIONAL FREQUENCY OF CN, International journal of quantum chemistry, 61(5), 1997, pp. 859-863
Citations number
22
Categorie Soggetti
Chemistry Physical
Journal title
International journal of quantum chemistry → ACNP
ISSN journal
00207608
Volume
61
Issue
5
Year of publication
1997
Pages
859 - 863
Database
ISI
SICI code
0020-7608(1997)61:5<859:TEOAEO>2.0.ZU;2-#
Abstract
Ab initio calculations are used to compute the change in the vibration al frequency of CN with an applied electric field aligned parallel to the bond axis. The effect of the field on the CN- vibrational frequenc y is of the same magnitude as for CN, but in the opposite direction. T hese results are compared to previous results for CO. (C) 1997 John Wi ley & Sons, Inc.