Quantum-Chemical Modeling of Hydrosilylation Reaction of Triethoxysilane to Divinylbenzene

Hydrosilylation of triethoxysilane with the mixture ortho- and para-divinylbenzene in presen¬ce Karstedt’s catalyst has been carried out corresponding product triethoxy(vinylphenethyl)silane have obtained. The structure composition obtained were proved by means determining molecular mass, refraction, 1H 13C NMR spectra data. It was found that addition reaction proceeds both ortho-position as well para-position. Markovnikov anti-Markovnikov rule. Via quantum-chemical calculations using non-empirical density functional theory (DFT) method, possible direction considered.