Bond energies and the interactions between next-nearest neighbors. I. Saturated hydrocarbons, diamond, sulfanes, S8, and organic sulfur compounds

Abstract

Interaction energies of atoms which are next-nearest neighbors have been determined from thermodynamic data for a number of carbon and sulfur molecules. When these interactions are taken into account, bond energies are found to be constant to a high degree of precision. Additional factors which have been considered include thermal and zero-point energies, interactions of more distant neighbors, trigonal interactions, and ring strain. Simple equations for the prediction of unknown heats of formation are developed.