Investigation of HMO spectra of Huckel and Mobius type cyclacenes
TURKISH JOURNAL OF CHEMISTRY, vol.21, no.3, pp.167-172, 1997 (SCI-Expanded, Scopus, TRDizin)
- Publication Type: Article / Article
- Volume: 21 Issue: 3
- Publication Date: 1997
- Journal Name: TURKISH JOURNAL OF CHEMISTRY
- Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, TR DİZİN (ULAKBİM)
- Page Numbers: pp.167-172
- Middle East Technical University Affiliated: No
Abstract
The Huckel molecular orbital spectra (HMO) of Huckel- and Mobius-type cyclacenes having 3-15 benzenoid rings were investigated and it was found that certain eigenvalues are topologically invariant, whereas others exhibit topological periodicity. Fbr example, Huckel-type cyclacenes having 2r (r: 2,3,4,...) benzenoid rings which possess nonbonding molecular orbitals (NBMO) and are thus expected to be open shell structures.