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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.