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

• ARTICLE • Previous Articles     Next Articles

A Theoretical Study on the Cycloaddition Reaction of Silylene and Ethylene

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

  1. 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


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