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.