Formation of Silicon Carbide Nanoclusters in the Process of Methyltrichlorosilane Oligomerization

Abstract

On the basis of quantum-chemical analysis, it has been shown that the formation of silicon carbide nanoclusters can occur due to the chemical reaction between two CH₃SiCl₃ molecules on the first step of the process with the subsequent reaction between CH₃SiCl₃ and the formed clusters, rather than due to the homolytic C–Si bond rupture in the CH₃SiCl₃ molecule. Cases where a chlorine atom of a CH₃SiCl₃ molecule interacts with one hydrogen atom of another CH₃SiCl₃ molecule or cluster, and three chlorine atoms of a methyltrichlorosilane molecule form a three-center complex with three hydrogen atoms of a cluster have been considered. It is shown that the second case leads to the formation of SiC nanoparticles.