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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

Sažetak

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.

Ključne riječi

Hrčak ID:

176387

URI

https://hrcak.srce.hr/176387

Datum izdavanja:

23.12.1987.

Posjeta: 766 *