A theoretical investigation on the role of solvent in solvolytic reactions. Part 5. Fluoromethane in methane

Abstract

The effect of an apolar solvent, i.e. methane, on the dissociation process of fluoromethane was investigated by MO theory at the CNDO/2 level of approximation. Unlike in polar solvents (water and hydrofluoric acid) fluoromethane is predicted to dissociate without the formation of intermediates. Through the analysis of the previous and present results the reliability of the solvent model and its limits of applicability are discussed.