VIBRATIONAL ANHARMONICITY IN $CF_{4}$ -- APPLICATION TO THE INTENSITIES OF OVERTONES AND COMBINATIONS IN THE IR SPECTRUM
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Date
1978
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
A computational algorithm has been developed by which it is possible to include the effects of nonbonded interactions and intramolecular tensions in the anharmonic force field. This algorithm has been used to determine a new anharmonic potential function for $CF_{4}$. The potential function has been used to calculate the vibrational anharmonicities, rotational constants, anharmonic splittings and the anharmonic wavefunctions. The latter have been applied in a new interpretation of the intensities of the overtone and combination bands in the infrared spectrum of $CF_{4}$.
Description
Isao Suzuki has been on leave from the University of Tokyo, Educational Computer Center, Bunkyo-ku, Hongo 7-3-1, Tokyo, Japan.""
Author Institution: Department of Chemistry, University of Minnesota
Author Institution: Department of Chemistry, University of Minnesota