Abstract
A
quantum chemical investigation of the stability of compounds with identical
formulas was carried out on 23 classes of compounds made of C, N, P, O, S atoms
as core structures and halogens H, F, Cl, Br, I as substituents. All possible
structures were generated and investigated by quantum mechanical 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.