Charge distributions and chemical effects. XXXII. Energies of multiple carbon–carbon bonds

Abstract

Bond energies are derived from total (nuclear–electronic and nuclear–nuclear) potential energies involving the individual nuclei of a molecule. It appears that the carbon–carbon bond energies in ethane, ethylene, allene, acetylene, and benzene are in a ratio of 1:2:1.9:2.9:1.6. This result enables a rapid estimate of approximate atomization energies of unsaturated hydrocarbons from those of their corresponding saturated parent compounds and, more importantly, shows the links relating to one another the various classes of saturated and unsaturated hydrocarbons in a unifying fashion.