Some properties of cyclacenes and silacyclacenes

Date

1997-04-01

Author

Türker, Burhan Lemi
Celebi, N

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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.

Subject Keywords

Polarizability, FMO energies, AM1 calculations, Monosilacyclacenes, Silacyclacenes, Cyclacenes

URI

https://hdl.handle.net/11511/62617

Collections

Department of Chemistry, Article