ANHARMONICITY AND FRANCK-CONDON FACTORS IN THE ABSORPTION SPECTRUM OF $H_{2}CO$
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Date
1980
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Ohio State University
Abstract
It is common to fit the intensity distribution in short progressions in the spectra of polyatomic molecules by Franck-Condon factors based on harmonic oscillator wavefunctions for the observed vibrational frequencies. This method is unsatisfactory for the long progression in $\nu_{2}$ (the C-O stretching mode) observed in formaldehyde. The progression can be fitted using wavefunctions for a Morse oscillator. It can also be fitted remarkably well by a formula for harmonic oscillator overlaps given by Doktorov et al:$^{1}$ however, this formula is equivalent to allowing the ratio obtained is not physically meaningful. The reason that this formula works so well will be discussed. The intensity distribution in the whole band is well explained by these Franck-Condon factors and a set of intersities of various false origins. One result of the fit is a value for the intensity Induced vibronically by each of the three antisymmetric normal modes.
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$^{1}$E. V. Doktorov, I.A. Malkin, and V. I. Man’ko, J. Mol. Spectors. 56, 1 (1975); 64, 302 (1977).
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