硅烯与乙烯环加成反应的理论研究

doi:10.3866/PKU.WHXB19980409

Acta Phys. -Chim. Sin. ›› 1998, Vol. 14 ›› Issue (04): 332-336.doi: 10.3866/PKU.WHXB19980409

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A Theoretical Study on the Cycloaddition Reaction of Silylene and Ethylene

Lu Xiu-Hui, Wang Yi-Xuan, Deng Cong-Hao

Chemistry Department,Jinan University,Jinan 250002|Institute of Chemistry,Shangdong University,Jinan 250100

Received:1997-07-10 Revised:1997-11-20 Published:1998-04-15
Contact: Lu Xiu-Hui

Abstract

Abstract:

The cycloaddition reaction of silylene(SiH2, A) and ethylene has been studied by using ab initio calculations, a reasonable mechanism of the reaction has been suggested. The thermodynamic and kinetic properties of the reaction have been calculated by statistical thermo-dynamic method and transition-state theory(TST).

Key words: Silylene, Cycloaddition reaction, Ab initio calculation, Thermodynamic and kinetic calcuulation

Lu Xiu-Hui, Wang Yi-Xuan, Deng Cong-Hao. A Theoretical Study on the Cycloaddition Reaction of Silylene and Ethylene[J]. Acta Phys. -Chim. Sin. 1998, 14(04), 332-336. doi: 10.3866/PKU.WHXB19980409

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A Theoretical Study on the Cycloaddition Reaction of Silylene and Ethylene

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