Radikalionen, 62 [ 1—3]. Bis(dimethylamino)dibenzoheptafulven-Radikalkation
Radical Ions, 62 [1—3]. Bis(dimethylamino)dibenzoheptafulvene radical cation
- 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.
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| Author: | Hans BockGND, Bernhard RothGND, Jörg Daub |
|---|---|
| URN: | urn:nbn:de:hebis:30:3-719833 |
| DOI: | https://doi.org/10.1515/znb-1984-0613 |
| ISSN: | 1865-7117 |
| ISSN: | 0932-0776 |
| Parent Title (German): | Zeitschrift für Naturforschung, B |
| Publisher: | Verlag der Zeitschrift für Naturforschung |
| Place of publication: | Tübingen |
| Document Type: | Article |
| Language: | German |
| Date of Publication (online): | 2014/06/02 |
| Year of first Publication: | 1983 |
| Publishing Institution: | Universitätsbibliothek Johann Christian Senckenberg |
| Release Date: | 2024/01/10 |
| Tag: | Dialkylamino-substituted π-Systems; ESR Spectra; MO Calculations; PE Spectra; Radical Cation |
| Volume: | 39.1983 |
| Issue: | 6 |
| Page Number: | 7 |
| First Page: | 771 |
| Last Page: | 777 |
| Institutes: | Biochemie, Chemie und Pharmazie / Biochemie und Chemie |
| Dewey Decimal Classification: | 5 Naturwissenschaften und Mathematik / 54 Chemie / 540 Chemie und zugeordnete Wissenschaften |
| Sammlungen: | Universitätspublikationen |
| Licence (German): |  Creative Commons - Namensnennung-Nicht kommerziell-Keine Bearbeitung 3.0 |
