Hyperconjugative stabilization in alkyl carbocations: direct estimate of the beta-effect of group-14 elements.


DFT calculations at the BP86/TZ2P level have been carried out for the primary, secondary, and tertiary carbenium ions [H2C-CH(EH3)2](+) (1a-e), [HC{CH(EH3)2}2](+), (2a-e), and [C{CH(EH3)2}3](+) (3a-e) for E = C, Si, Ge, Sn, Pb. The nature of the interaction between the carbenium center H(2-n)C(+) and the substituents {CH(EH3)2}m has been investigated with… (More)


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