INVESTIGATION OF HMO SPECTRA OF HUCKEL AND MOBIUS TYPE CYCLACENES

Authors
TURKER L ERKOC S
Citation
L. Turker et S. Erkoc, INVESTIGATION OF HMO SPECTRA OF HUCKEL AND MOBIUS TYPE CYCLACENES, Turkish journal of chemistry, 21(3), 1997, pp. 167-172
Citations number
19
Categorie Soggetti
Chemistry,"Engineering, Chemical
Journal title
Turkish journal of chemistry → ACNP
ISSN journal
13000527
Volume
21
Issue
3
Year of publication
1997
Pages
167 - 172
Database
ISI
SICI code
1300-0527(1997)21:3<167:IOHSOH>2.0.ZU;2-A
Abstract
The Huckel molecular orbital spectra (HMO) of Huckel- and Mobius-type cyclacenes having 3-15 benzenoid rings were investigated and it was fo und that certain eigenvalues are topologically invariant, whereas othe rs exhibit topological periodicity. Fbr example, Huckel-type cyclacene s having 2r (r: 2,3,4,...) benzenoid rings which possess nonbonding mo lecular orbitals (NBMO) and are thus expected to be open shell structu res.