Investigation of HMO spectra of Huckel and Mobius type cyclacenes


Turker L., Erkoc S.

TURKISH JOURNAL OF CHEMISTRY, vol.21, no.3, pp.167-172, 1997 (Peer-Reviewed Journal) identifier identifier

  • Publication Type: Article / Article
  • Volume: 21 Issue: 3
  • Publication Date: 1997
  • Journal Name: TURKISH JOURNAL OF CHEMISTRY
  • Journal Indexes: Science Citation Index Expanded, Scopus, TR DİZİN (ULAKBİM)
  • Page Numbers: pp.167-172

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.