Accession Number : AD0717194

Title :   Vibrational Anharmonicity and Rotation-Vibration Interaction in Polyatomic Molecules.

Descriptive Note : Final rept. 1 Oct 66-30 Sep 70,

Corporate Author : MINNESOTA UNIV MINNEAPOLIS DEPT OF CHEMISTRY

Personal Author(s) : Overend,John

Report Date : 15 NOV 1970

Pagination or Media Count : 9

Abstract : Research on the vibrational anharmonicity of simple polyatomic molecules is reported. The work is partly in the determination of experimental spectra of CS2, CH3I, CD3I, and other simple molecules, and partly computational in that several models for the anharmonic part of the potential energy have been developed and tested against real experimental data. The conclusions are that many of the anharmonic effects in the vibrational spectrum can be modeled with a Morse function for the bond stretch coordinates and a curvilinear bending coordinate. (Author)

Descriptors :   (*POLYATOMIC MOLECULES, VIBRATION), MOLECULAR ENERGY LEVELS, HALOGENATED HYDROCARBONS, IODINE COMPOUNDS, DEUTERIUM COMPOUNDS, SULFIDES, CARBON COMPOUNDS

Subject Categories : Atomic and Molecular Physics and Spectroscopy

Distribution Statement : APPROVED FOR PUBLIC RELEASE