Abstract
THE molecular force field which has been most successful in accounting for molecular vibration frequencies is the ‘simple valency force field'. In many cases, however, this simple field has had to be modified considerably by introducing cross-terms. Most frequently these have been introduced empirically with the sole object of obtaining a good reproduction of the observed frequencies. This procedure is unsatisfactory, because it is often impossible to be sure of selecting the correct cross-terms from those that are possible. There have been a few more valuable attempts to modify the simple valency force field, and account for the cross-terms, which have been based on a more careful consideration of the forces, other than simple valency forces, that may exist in the molecule1. However, recently we have found that a new force field leads to more satisfactory results. We call this the ‘orbital valency force field', and it diifers from the older view in its treatment of angular distortions2; whereas the simple valency force field considers the bending angle by angle, the orbital valency force field treats it bond by bond.
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References
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HEATH, D., LINNETT, J. A Suggested New Force Field for Molecular Vibrations. Nature 161, 314–315 (1948). https://doi.org/10.1038/161314b0
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DOI: https://doi.org/10.1038/161314b0
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