Affiliation:
1. Chemische Institute der Universität Frankfurt, Niederurseler Hang, D-6000 Frankfurt/Main 50, FRG
2. Institut für Organische Chemie der Universität Regensburg, Universitätsstraße 31, D -8400 Regensburg, FRG
Abstract
Abstract
The neutral title compound, 8,8-bis(dimethylamino)dibenzo-[a,d]-heptafulvene, exhibits a first vertical ionization potential of only 6.98 eV and, therefore, can also be oxidized by AlCl3 in H2CCl2 solution. The radical cation generated shows a complex multiplet signal pattern, which is assigned based on additional ENDOR measurements. The photoelectron (PE) and ESR spectra of the 112 valence electron molecule are interpreted by “pararneter-optimized” HMO and by geometry-optimized MNDO calculations, which both suggest a non-planar π-type ground state with most of the charge and the spin distributed over the dibenzoheptatriene part of the radical cation.
Cited by
4 articles.
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