THE IMPORTANCE OF QUADRATIC FORCE CONSTANTS IN FERMI RESONANCE.

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1967

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Ohio State University

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If the intramolecular potential energy is written in internal valence coordinates, the transformation to normal coordinates is nonlinear. Consequently both the quadratic and cubic valence-coordinate force constants contribute to the cubic normal-coordinate force constant which is the coefficient of the Fermi-Dennison resonance operator. The contributions of the quadratic force constants have been evaluated in some simple cases; they appear to be more important than the cubic internal-coordinate force constants. Anharmonicity enters mainly through the cubic stretch-bend-bend interaction force constant.

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Author Institution: Molecular Spectroscopy Laboratory, Department of Chemistry, University of Minnesota Minneapolis, Minnesota, 55455.

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http://hdl.handle.net/1811/15243

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Abstracts of OSU International Symposium on Molecular Spectroscopy 1960-1969