The Theoretical Research of Dimethyldichorosilane Catalyzed by LiAlCl4/γ-Al2O3

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The Theoretical Research of Dimethyldichorosilane Catalyzed by LiAlCl4/γ-Al2O3

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[1]Xu Wenyuan,Yao Chengjiao,Xu Yongchang,et al.The Theoretical Research of Dimethyldichorosilane Catalyzed by LiAlCl4/γ-Al2O3[J].Journal of Zhengzhou University (Engineering Science),2017,38(06):92-96.[doi:10.13705/j.issn.1671-6833.2017.06.014]

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Journal of Zhengzhou University (Engineering Science)[ISSN 1671-6833/CN 41-1339/T] Volume: 38 Number of periods: 2017 06 Page number: 92-96 Column: Public date: 2017-11-20

Title:: The Theoretical Research of Dimethyldichorosilane Catalyzed by LiAlCl4/γ-Al2O3

Author(s):: Xu Wenyuan1; Yao Chengjiao1; Xu Yongchang1; Hong Sanguo2; 1. School of Science, East China Jiaotong University, Nanchang, Jiangxi, 330013; 2. School of Chemistry, Nanchang University, Nanchang, Jiangxi, 330037

Keywords:: LiAlCl4/γ-Al2O3; DFT; dimethyldichorosilane; disproportionation

CLC:: -

DOI:: 10.13705/j.issn.1671-6833.2017.06.014

Abstract:: Most important monomer dimethyldichorosilane could be prepared by disproportionating methyltrichlorosilane and chlorotrimethysilane. Disproportionation catalyzed by LiAlCl4/γ-Al2O3 were calculated at B3LYP/6-311++G(3df,2pd) level. Activation energies of the rate-determinning step of main reaction was 15.59 kJ·mol-1. The experiment indicated the producticity that LiAlCl4/γ-Al2O3 catalyst preparing dimethyldichorosilance is 81.3%. It was higher than γ-Al2O3catalyst, and it coincided with calculated results.

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