Quantum-chemical study of the formation mechanism of fused heterocyclic system in the reaction of imidazole with 1-(iodomethyl)-1,1,3,3,3-pentamethyldisiloxane

Abstract

Quantum-chemical study with the use of DFT(B3LYP) method was applied to the process of the formation of cyclic organosiloxane iodides in the reaction of imidazole with 1-(iodomethyl)-1,1,3,3,3-pentamethyldisiloxane. According to the calculations the formation of a fused heterocyclic system is possible only with the participation of a triiodide anion.