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      https://www.ias.ac.in/article/fulltext/jcsc/130/06/0058

    • Keywords

       

      AlCl3/ZSM-5; disproportionation; dimethyldichlorosilane; organosilicon.

    • Abstract

       

      Organosilicon material is widely used because of its dual structure. Dimethyldichlorosilane is the largest and most versatile of organic silicon monomer. In this article, MP2/6-311+ +G (3df, 2pd) basis set has been used to calculate the reaction mechanism of disproportionation for producing dimethyldichlorosilane by catalysts AlCl3/ZSM-5 (3T, 4T, 6T). The results show that the activation energies (3T, 4T, 6T) of the ratedetermining step of the main reaction are: 100.3, 110.6 and 11341 kJ mol-1, respectively. The structure analysis,activation energy analysis and LOL analysis for different catalysts all show that the catalytic effect of 4T cluster AlCl3/ZSM-5 is the best.

    • Author Affiliations

       

      WENYUAN XU1 MEI YANG1 YONGXIN LIU1 ZANRU GUO1 LIN HU1 SHAOMING YANG1 SANGUO HONG2

      1. School of Material Science and Engineering, East China Jiaotong University, Nanchang 330013, China
      2. College of Chemistry, Nanchang University, Nanchang 330031, China
    • Dates

       
    • Supplementary Material

       
  • Journal of Chemical Sciences | News

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