Formation of Silicon Carbide Nanoclusters in the Process of Methyltrichlorosilane Oligomerization

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 CH 3 SiCl 3 molecules on the first step of the process with the subsequent reaction between CH 3 SiCl 3 and the formed clusters, rather than due to the homolytic C–Si bond rupture in the CH 3 SiCl 3 molecule. Cases where a chlorine atom of a CH 3 SiCl 3 molecule interacts with one hydrogen atom of another CH 3 SiCl 3 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.