Conformational Behavior of 2-Methyl-1,3,2-oxathiaborinane Oxonium and Sulfonium Ions

摘要

The protonation of the saturated 1,3- and 1,3,2-heterocyclic compounds is known to be the initial stage of the ring opening in a variety of heterolytic reactions. A study of the conformational mobility of the formed ions indicates that their parameters differ significantly from those of the electrically neutral compounds. In this communication we report on the study of the effect of protonation of 2-methyl-1,3,2-oxathiaborinane I at the oxygen or sulfur atoms (associates II-IV respectively) on the conformational properties of the adducts using an ab initio quantum-chemical classical approximation HF/6-31G (d) and PBE/3z within a HyperChem and Nature packages. Analogs of these compounds have been described.