| Literature DB >> 16209498 |
Abstract
[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.Entities:
Year: 2005 PMID: 16209498 DOI: 10.1021/ol0518333
Source DB: PubMed Journal: Org Lett ISSN: 1523-7052 Impact factor: 6.005