New valence force fields have been calculated for forty-seven small organic molecules and used to calculate protium-deuterium fractionation factors. Factors for molecules of the type CH 3 X and HCOX have been found to correlate with the electronegativities of X and the CX bond lengths. The effects of cumulative substitution on a given C atom on the alpha CH fractionation factors have been examined. Some uses of the factors in mechanistic analysis are discussed.
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Vernon et al. (1989) studied this question.
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