Abstract: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 … Show more
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