摘要
一甲基三氯硅烷与三甲基氯硅烷的歧化反应可以制备最重要的单体二甲基二氯硅烷,采用B3LYP/6-311++G(3df,2pd)方法对LiAlCl_4/γ-Al_2O_3催化剂体系进行了计算,得到其主反应速控步的活化能为15.59 k J·mol-1.实验表明:LiAlCl_4/γ-Al_2O_3催化制备二甲的最高产率为81.30%,比γ-Al_2O_3的产率高,结果与计算匹配.
Most important monomer dimethyldichorosilane could be prepared by disproportionating methyltri -chlorosilane and chlorotrimethylsilane.Disproportionation catalyzed by LiAlCl 4/γ-Al2O3were calculated at B3LYP/6-31＋＋G（3df,2pd）level.Activation energies of the rate-determining step of main reaction was 15.59 kJ＆#183;mol-1.The experiment indicated the productivity that LiAlCl 4/γ-Al2O3catalyst preparing dimethyl-dichorosilane is 81.3%.It was higher than γ-Al2O3catalyst.and it coincided with calculated results.
出处
《郑州大学学报（工学版）》
CAS
北大核心
2017年第6期92-96,共5页
Journal of Zhengzhou University（Engineering Science）
基金
国家自然科学基金资助项目(21563011)
