A double-twist Möbius-aromatic conformation of [14]annulene.
[structure: see text] B3LYP and KMLYP/6-31G(d) calculations predict a double-helical and chiral conformation of [14]annulene with the topological properties of a double-twist Möbius band as highly aromatic; its energy with respect to the known Hückel-aromatic conformation is predicted to be stabilized by suitable ring substitution.
Rzepa
Henry S
HS
Department of Chemistry, Imperial College London, South Kensington Campus, Exhibition Road, London SW7 2AY, UK. rzepa@imperial.ac.uk