Abstract
A quantum chemical
investigation of the stability of compounds with identical formulas was carried
out on 23 classes of halogenated compounds made of H, F, Cl, Br, I, C, N, P, O
and S atoms. All possible structures were generated by combinatorial
approach and studied by statistical methods. The prevalence of formula in which
its Z configuration, gauche conformation and meta isomer are the
most stable forms is calculated and discussed. Quantitative and qualitative
models to explain the stability of the 23 classes of halogenated compounds were
also proposed.