EEHMO-Rechnungen zur Valenzisomerisierung zwischen benzenoiden und o-chinoiden Systemen
Open Access
- 1 July 1977
- journal article
- research article
- Published by Walter de Gruyter GmbH in Zeitschrift für Naturforschung A
- Vol. 32 (7) , 780-782
- https://doi.org/10.1515/zna-1977-0720
Abstract
A special aspect of benzocyclobutenes and the heteroanalogous systems is the valence isomerization. which leads by ring opening to o-quinoidal structures. The energy balance of such [2π + 2σ]- reactions and the reverse [2π +2π] -cyclo-additions in the ground state S0 and in the first excited singlet state S1 are discussed. The EHT-calculation performed are based on a partial geometry optimation.Keywords
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