Estimation of Standard Heats of Formation of Organic Even-electron Cations.

Abstract

A method for the estimation of standard heats of formation ΔH_f of some organic, even-electron cations is proposed. The estimation procedure is essentially the same with the one previously reported (Bowen-Williams method), except for substituting a hydrogen atom, instead of a methyl group, of the standard alkyl ion to other functional groups such as OH or NH₂. The present method has wider applicability than the Bowen-Williams method, because it can also give ΔH_f of higher homologous alkyl ion itself, which, in turn, can be used as a standard value for larger organic ions.