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Issue 16, 1989
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Enhanced hyperconjugation and facile 1,2-halogen shifts in metal cation complexes of 2-halogenoalkyl radicals: an Ab initio study

Abstract

UMP4/6-31G*//6-31G* calculations suggest that complexation of Li+ to either the β-fluoro-or β-chloro-ethyl radicals results in a significant reduction in the 1,2-shift barrier, as found previously for the protonated radicals, and an overall stabilisation of the radicals by enhanced odd-electron hyperconjugation.

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Article type: Paper
DOI: 10.1039/C39890001082
Citation: J. Chem. Soc., Chem. Commun., 1989,0, 1082-1084
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    Enhanced hyperconjugation and facile 1,2-halogen shifts in metal cation complexes of 2-halogenoalkyl radicals: an Ab initio study

    A. von Onciul and T. Clark, J. Chem. Soc., Chem. Commun., 1989, 0, 1082
    DOI: 10.1039/C39890001082

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