Significant linear correlations were observed between AM1‐derived adiabatic, but not vertical, ionization potentials and the log of ferricyanide‐mediated oxidation of 3‐substituted‐1‐methyl‐1,4‐dihydropyridines. This result is consistent with a rate‐determining electron loss in the reaction sequence and suggests molecular relaxation subsequent to the initial electron transfer. In addition, useful relationships were generated between oxidation rate and absolute electronegativity, a parameter derived from hard‐soft acid‐base theory.
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Brewster et al. (1991) studied this question.
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