Original scientific paper

An ab initio Molecular Orbital Study of the Insertions of Difluorocarbene into Substituted Ethenes

Chi-Kin Wong ; Department of Chemistry, The Chinese University of Hong Kong, Shatin, N.T., Hong Kong
Wai-Kee Li ; Department of Chemistry, The Chinese University of Hong Kong, Shatin, N.T., Hong Kong

Abstract

Ab initio MO calculations predict the activation energies for the insertions of difluorocarbene into substituted ethenes C2H3X (X = F, Cl, Me) to be 61,68 and 52 kJ mol-1, respectively; these results indicate that the monosubstitution on the ethene has no significant effects on the activation energy of the reaction.

Keywords

Hrčak ID:

136884

URI

https://hrcak.srce.hr/136884

Publication date:

1.8.1994.

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