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The effect of an electric field on the vibrational frequency of CN
Author(s) -
Bauschlicher Charles W.
Publication year - 1997
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1997)61:5<859::aid-qua11>3.0.co;2-z
Subject(s) - electric field , field (mathematics) , ab initio , molecular vibration , chemistry , atomic physics , ab initio quantum chemistry methods , magnitude (astronomy) , molecular physics , computational chemistry , physics , molecule , quantum mechanics , mathematics , pure mathematics , organic chemistry , astronomy
Ab initio calculations are used to compute the change in the vibrational frequency of CN with an applied electric field aligned parallel to the bond axis. The effect of the field on the CN − vibrational frequency is of the same magnitude as for CN, but in the opposite direction. These results are compared to previous results for CO. © 1997 John Wiley & Sons, Inc.