Acta Phys. -Chim. Sin. ›› 1996, Vol. 12 ›› Issue (02): 119-123.doi: 10.3866/PKU.WHXB19960206

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Quantum Chemical Study on the Rearrangements of SCRCR'CO

Li Yong-Hong,Hong San-Guo   

  1. Department of Chemistry,Jiangxi Normal University,Nanchang 330027
  • Received:1995-04-08 Revised:1995-07-18 Published:1996-02-15
  • Contact: Hong San-Guo


MINDO/3 MO method has been used to study on the rearrangements of SCRCR′CO. The results obtained show that the rearrangement reaction has lower activation energy when R is an election rich migrating group, and phenyl group can decrease the activation energy of this reaction.


Key words: Rearrangement reaction, Transition state, Reaction pathway