Croatica Chemica Acta, Vol. 57 No. 5, 1984.
Original scientific paper
Homoconjugation in Radical Cations
Robert C. Haddon
; AT&T Ben Laboratories, Murray Hill, New Jersey 07974, U.S.A.
Heinz D. Roth
; AT&T Ben Laboratories, Murray Hill, New Jersey 07974, U.S.A.
Abstract
Recent studies of nuclear spin polarization effects in cyclopropane
derivatives have provided considerable information on the
structure as well as the spin and charge density distributions in
this class of radical ca,tions. In the present work we report an
extension of the frontier MO/perturbation MO theory of homoconjugation
to include such species in an attempt to rationalize
further the experimental results mentioned above, and to provide
guidelines for understanding the structures of radical cations
derived from other types of cyclopropane derivatives.
The structures observed for the radical ca'1:ions of diphenylcyclopropane,
trimethylcyclopropane, and benzonorcaradiene are
rationalized, and the structures of the radical cations of spirocyclopropanefluorene
and vicinally cyclopolyene-substituted cyclopropanes
are predicted.
Keywords
Hrčak ID:
194079
URI
Publication date:
14.1.1985.
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