An Ab initio study of monofluorocyclohexadienyl anions

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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.

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