Cethrene: A Helically Chiral Biradicaloid Isomer of Heptazethrene

Ravat, Prince and Šolomek, Tomáš and Rickhaus, Michel and Häussinger, Daniel and Neuburger, Markus and Baumgarten, Martin and Juríček, Michal. (2016) Cethrene: A Helically Chiral Biradicaloid Isomer of Heptazethrene. Angewandte Chemie International Edition, 55 (3). pp. 1183-1186.

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Official URL: http://edoc.unibas.ch/41008/

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We report the synthesis and properties of "cethrene", the only helically chiral isomer of heptazethrene with a biradicaloid singlet ground state. Cethrene gives a well-resolved EPR spectrum at room temperature and its structure was confirmed by 2D NMR and absorption spectroscopies. Our experiments and calculations show that the helical twist affects its electronic properties and decreases the singlet-triplet energy gap when compared to that of planar heptazethrene. Cethrene undergoes an intramolecular cyclization within several hours at room temperature.
Faculties and Departments:05 Faculty of Science > Departement Chemie > Chemie > Nuclear Magnetic Resonance (Häussinger)
UniBasel Contributors:Juricek, Michal and Häussinger, Daniel and Ravat, Princekumar and Rickhaus, Michel and Neuburger, Markus
Item Type:Article, refereed
Article Subtype:Research Article
Note:Publication type according to Uni Basel Research Database: Journal article
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Last Modified:29 Mar 2017 14:00
Deposited On:12 May 2016 07:04

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