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 item DOI: 10.1016/0022-2852(73)90156-2
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.