Notizen: MOA Calculations of CH Stretching Frequencies and Dissociation Energies in Hydrocarbons

Abstract

A relation between CH stretching frequencies and s characters of the corresponding bonds is obtained, using the data of CH, CHD and CHD2, groups in hydrocarbons and the maximum overlap approximation [MOA] method. A relationship between dissociation energies and overlap integrals of CH bonds is also found. A new formula for calculating bond energies in hydrocarbons is proposed.