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研究一甲基三氯硅烷与三甲基氯硅烷分别与三氯化铝作用并得到中间体后,中间体分别与一甲基三氯硅烷和三甲基氯硅烷作用的机理,反应的IRC(Intrinsicreactioncoordinate)曲线,各关键原子沿IRC的变化曲线及产物的理论产率.结果发现,中间体趋于与一甲基三氯硅烷作用生成二甲基二氯硅烷,且三甲基氯硅烷的转化率高于一甲基三氯硅烷.实验结果与计算结果吻合.
The mechanism of interaction of monomethyltrichlorosilane and trimethylchlorosilane with aluminum trichloride and intermediate, respectively, with monomethyltrichlorosilane and trimethylchlorosilane, was investigated. The reaction of IRC ( Intrinsic reaction coordinate curve and the change of the IRC of the key atom along with the theoretical yield of the product.The results showed that the intermediate tends to react with monomethyltrichlorosilane to form dimethyldichlorosilane and the conversion of trimethylchlorosilane The rate is higher than that of monomethyltrichlorosilane.The experimental results are consistent with the calculated results.