DETERMINATION OF ANHARMONIC FORCE CONSTANTS IN POLYATOMIC MOLECULES

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1964

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Ohio State University

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Abstract

A method is described for the determination of anharmonic force constants from the observed band origins and rotational constants of fundamentals, overtones and combination tones. The problems of using a potential function based on curvilinear coordinates are discussed. The method is illustrated with results for $CO_{2}, H_{2}O, HCN$ and $C_{2}H_{2}$; numerical values of the anharmonic force constants are given.

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Author Institution: Molecular Spectroscopy Laboratory, University of Minnesota

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