Chem. J. Chinese Universities ›› 1985, Vol. 6 ›› Issue (11): 1014.

• Articles • Previous Articles     Next Articles

A Theoretical Study of Mechanisms in the Photochemical Reactions of Forming Ketene After the α-Bond Rupture in Cyclohexanone

Yu Hengtai1, Sevin Alain2   

  1. 1. Institute of Theoretical Chemistry, Jilin University, Changchun;
    2. Iahoratoire de Chimie Organique Theorique, Universit P. et M. Curie, 75230Paris France
  • Received:1984-07-04 Online:1985-11-24 Published:1985-11-24

Abstract: ab initio SCF + CIcalculations of the potential energy surfaces and barriers in the various paths are presented for the chemical reactions of forming ketene after the α-bond rupture in cyclohexanone, using acetaldehyde as model. The possibilities of the various paths and the transition states are discussed.

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