Dimethyldichlorosilane, one of the most consumed organosilicon monomers in the industry, can be prepared in a highly efficient and environmentally friendly synthesis method of disproportionating methylchlorosilanes. However, the internal mechanism of the reaction remains unclear. In this paper, the mechanism catalyzed by AlCl 3 /MIL-53(Al) and AlCl 3 /MIL-53(Al) @γ-Al 2 O 3 catalysts was calculated at B3LYP/6-311++G(3df, 2pd) level by using the density functional theory (DFT). The results showed that although the two catalysts had similar active structures, the catalytic effects were significantly different. The Lewis acid center on the surface of γ-Al 2 O 3 in the core-shell catalyst is complementary to the classic Lewis acid AlCl 3 through the spatial superposition effect, which greatly improves the Lewis acid catalytic activity of AlCl 3 /MIL-53(Al)@γ-Al 2 O 3 .
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.