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

  • CHEMICAL KINETICS AND CATALYSIS
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Abstract

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.

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Authors and Affiliations

  1. School of Material Science and Engineering, East China Jiaotong University, 330013, Nanchang, China

    Wenyuan Xu, Mei Yang, Xiaoyan Li, Shaoming Yang, Xi Chen, Zhili Fang & Xiaoxin Wu

  2. College of Chemistry, Nanchang University, 330031, Nanchang, China

    Sanguo Hong

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  1. Wenyuan Xu
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  3. Xiaoyan Li
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Correspondence to Wenyuan Xu.

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Wenyuan Xu, Yang, M., Li, X. et al. Study on the Mechanism of Methylchlorosilanes Disproportionation Catalyzed by AlCl3/(AlCl2)\(_{Z}^{{Z + }}\)-γ-Al2O3. Russ. J. Phys. Chem. 92, 2634–2639 (2018). https://doi.org/10.1134/S0036024418130356

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