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An anharmonic force field for SO3

Dorney, A. J., Hoy, A. R. and Mills, I. (1973) An anharmonic force field for SO3. Journal of Molecular Spectroscopy, 45 (2). pp. 253-260. ISSN 0022-2852

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To link to this article DOI: 10.1016/0022-2852(73)90156-2

Abstract/Summary

An anharmonic force field for SO3 based on the valence force model has been investigated. The results of extending the model to include some further estimated cubic interaction potential constants have also been investigated. The phenomenological parameters calculated from both model force fields agree with those few values which have been experimentally determined. A calculation of the inertia defect has been made, and thus the value of C0 has been determined. The equilibrium structure has been determined to be: re = 1.4184 ± 0.0010 Å.

Item Type:Article
Refereed:Yes
Divisions:Faculty of Life Sciences > School of Chemistry, Food and Pharmacy > Department of Chemistry
ID Code:7435
Publisher:Academic Press

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