Croatica Chemica Acta, Vol. 60 No. 4, 1987.
Original scientific paper
Skele ton Deformations and Electronic Structure of p-Quinonemethide
Sergey G. Semenov
; Department of Quantum Chemistry, Leningrad University, 198904 Leningrad, USSR
Sergey M. Shevchenko
; "Rudjer Bošković" Institute, 41000 Zagreb, Croatia, Yugoslavia
Abstract
The electronic structure of the lignin subunit p-quinonemethide
(4-alkylidene-2,5-cyclohexadiene-l-one) was calculated by the CNDO/S3method. The results indicate a quinoid structure for the ground state, the transformation into diradical being possible only by photoexcitation. There is no reason to ascribe zwitterionic structure to any p-quinonemethides. Chemical reactivity of p-quinonemethides and the effect of skeleton deformations on reactivity are analyzed in detail.
Keywords
Hrčak ID:
176387
URI
Publication date:
23.12.1987.
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