Bucher, G. , Grimme, S., Huenerbein, R., Auer, A.A., Mucke, E., Kohler, F., Siegwarth, J. and Herges, R. (2009) Is the [9]annulene cation a Mobius annulene? Angewandte Chemie (International Edition), 48(52), pp. 9971-9974. (doi: 10.1002/anie.200900886)
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Abstract
Does it do the twist? High-level theoretical calculations show that the [9]annulene cation exists in two isomers: a twisted 4n electron Möbius aromatic compound, and a non-twisted boat-like Hückel conformation (see scheme). The latter form was detected by laser flash photolysis experiments; an example of a stable, charged, or uncharged parent Möbius annulene is still elusive.
Item Type: | Articles |
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Keywords: | annulenes, aromatic-hydrocarbon, aromaticity, behavior, computations, density functional calculations, density-functional theory, energy, huckel, laser flash photolysis, Mobius arenes, perturbation-theory, twist |
Status: | Published |
Refereed: | Yes |
Glasgow Author(s) Enlighten ID: | Bucher, Dr Goetz |
Authors: | Bucher, G., Grimme, S., Huenerbein, R., Auer, A.A., Mucke, E., Kohler, F., Siegwarth, J., and Herges, R. |
College/School: | College of Science and Engineering > School of Chemistry |
Journal Name: | Angewandte Chemie (International Edition) |
Journal Abbr.: | Angew Chem. Int. Ed. Eng.l |
Publisher: | Wiley - V C H Verlag GmbH & Co. KGaA |
ISSN: | 1433-7851 |
ISSN (Online): | 1521-3773 |
Published Online: | 24 November 2009 |
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