Conformation of 4,5,6-substituted 2-isopropyl-1,3,2-oxathioborinanes

Conformational analysis of 2-methyl-1,3,2-dithiaborinane sulfonium ions

“…The study of the conformational mobility of these ions showed that their parameters differ considerably from those of neutral compounds [2]. In this study by means of computer simulation by nonempirical methods HF/6-31G(d) and PBE/3z in the framework of software HyperChem [3] and PRIRODA [4] respectively the conformational transitions were investigated of protonated molecules of 2-methyl-1,3,2- Molecules of 2-alkyl-1,3,2-dithiaborinanes at room temperature exist in equilibrium state of sofa invertomers [5]. It was established by calculations that this process occurs via 2,5-twist-transition state (2,5-Т).…”