Is the [9]Annulene Cation a Möbius Annulene? | Zendy

Bucher Götz | Zendy; Grimme Stefan | Zendy; Huenerbein Robert | Zendy; Auer Alexander A. | Zendy; Mucke Eva | Zendy; Köhler Felix | Zendy; Siegwarth Jan | Zendy; Herges Rainer | Zendy

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Is the [9]Annulene Cation a Möbius Annulene?

Author(s) -

Bucher Götz,

Grimme Stefan,

Huenerbein Robert,

Auer Alexander A.,

Mucke Eva,

Köhler Felix,

Siegwarth Jan,

Herges Rainer

Publication year - 2009

Publication title -

angewandte chemie international edition

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 5.831

H-Index - 550

eISSN - 1521-3773

pISSN - 1433-7851

DOI - 10.1002/anie.200900886

Subject(s) - annulene , twist , chemistry , scheme (mathematics) , computational chemistry , stereochemistry , mathematics , mathematical analysis , geometry

Does it do the twist? High‐level theoretical calculations show that the [9]annulene cation exists in two isomers: a twisted 4 n 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.

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