Study on the Mechanism of Methylchlorosilanes Disproportionation Catalyzed by AlCl3/(AlCl2)\(_{Z}^{{Z + }}\)-γ-Al2O3


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Resumo

Dimethyldichlorosilane is the most versatile of organosilicon monomers and is produced in large quantites. In this paper, MP2/6-311++G (3df, 2pd) basis set has been used to calculate the reaction mechanism of disproportionation for producing dimethyldichlorosilane by catalyst AlCl3/(AlCl2)\(_{Z}^{{Z + }}\)-γ-Al2O3 (Z = 0–2). The activation energy (Z = 0–2) of the rate-determining step of main reaction is: 73.00, 60.26, and 66.39 kJ mol–1. By comparing the activation energy and reaction heat, it is found that the catalytic effect of AlCl3/(AlCl2)\(_{Z}^{{Z + }}\)-γ-Al2O3 (Z = 1) is the best.

Sobre autores

Wenyuan Xu

School of Material Science and Engineering, East China Jiaotong University

Autor responsável pela correspondência
Email: xwyktz@163.com
República Popular da China, Nanchang, 330013

Mei Yang

School of Material Science and Engineering, East China Jiaotong University

Email: xwyktz@163.com
República Popular da China, Nanchang, 330013

Xiaoyan Li

School of Material Science and Engineering, East China Jiaotong University

Email: xwyktz@163.com
República Popular da China, Nanchang, 330013

Shaoming Yang

School of Material Science and Engineering, East China Jiaotong University

Email: xwyktz@163.com
República Popular da China, Nanchang, 330013

Xi Chen

School of Material Science and Engineering, East China Jiaotong University

Email: xwyktz@163.com
República Popular da China, Nanchang, 330013

Zhili Fang

School of Material Science and Engineering, East China Jiaotong University

Email: xwyktz@163.com
República Popular da China, Nanchang, 330013

Xiaoxin Wu

School of Material Science and Engineering, East China Jiaotong University

Email: xwyktz@163.com
República Popular da China, Nanchang, 330013

Sanguo Hong

College of Chemistry, Nanchang University

Email: xwyktz@163.com
República Popular da China, Nanchang, 330031

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