An improved IOC-ω technique. Part 2.—π-Bond energies, heats of formation and resonance energies of alternant and non-alternant hydrocarbons

Abstract

The improved IOC-ω technique described in Part 1 has been further extended to evaluate π-bond energies, heats of formation and resonance energies of some alternant and non-alternant hydrocarbons. The agreement between calculated experimental values is good. The calculated values of resonance energies of non-alternant hydrocarbons correlate well with experimental data.