Some properties of cyclacenes and silacyclacenes
BULLETIN DES SOCIETES CHIMIQUES BELGES, vol.106, no.4, pp.201-204, 1997 (SCI-Expanded)
- Publication Type: Article / Article
- Volume: 106 Issue: 4
- Publication Date: 1997
- Journal Name: BULLETIN DES SOCIETES CHIMIQUES BELGES
- Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED)
- Page Numbers: pp.201-204
- Middle East Technical University Affiliated: No
Abstract
Various Huckel type cyclacenes and silacyclacenes are subject to semi-empirical molecular orbital treatment at the level of AMI type. Cyclacenes having silicon atom at the peri and fusion points of arenoid rings as well as all-silated cyclacenes are considered. The cryptoannulenic effects, frontier molecular orbital energies, geometries and polarizabilities of these structures have been examined.