Issue 9, 1979

An Ab initio study of monofluorocyclohexadienyl anions

Abstract

Ab initio calculations have been performed upon the title species, and the 4-31 G wavefunctions analysed by both the Mulliken and projection operator procedures. The results confirm the importance of the Iπ repulsion effect on the proportion of isomers formed from a single substrate, but do not distinguish between this hypothesis and the alternative one, of a strongly activating effect of fluorine meta to the point of attack, as the dominant factor in determining relative rates of reaction of two different molecules.

Article information

Article type
Paper

J. Chem. Soc., Perkin Trans. 2, 1979, 1201-1204

An Ab initio study of monofluorocyclohexadienyl anions

J. Burdon, I. W. Parsons and E. J. Avramides, J. Chem. Soc., Perkin Trans. 2, 1979, 1201 DOI: 10.1039/P29790001201

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