Vibrational Anharmonicity and Rotation-Vibration Interaction in Polyatomic Molecules.
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)
Document Details
- Document Type
- Technical Report
- Publication Date
- Nov 15, 1970
- Accession Number
- AD0717194
Entities
People
- John Overend
Organizations
- University of Minnesota