Influence of the electron-donor effect of lone pairs of substituents on the nature of distribution of electron density in saturated molecules

Abstract

The possibility of the separation of the electron-donor and inductive effects in saturated molecules has been considered. The dependence of the character of the electron-donor effect on the parameters of the Hamiltonian and the length of the hydrocarbon chain has been studied. A general criterion for comparing the relative values of the changes in the distribution of the electron density caused by the inductive and electron-donor effects has been developed. It has been shown that the features of the distribution of the electron density of fluoroalkanes calculated by the CNDO/2 and CNDO/S methods are determined mainly by the character of the inductive effect.