A topological approach to the stabilities of isomeric Huckel and Mobius type cyclacenes

Turker L.

TURKISH JOURNAL OF CHEMISTRY, vol.21, no.4, pp.415-419, 1997 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 21 Issue: 4
  • Publication Date: 1997
  • Journal Name: TURKISH JOURNAL OF CHEMISTRY
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, TR DİZİN (ULAKBİM)
  • Page Numbers: pp.415-419
  • Middle East Technical University Affiliated: No

Abstract

Within the constraints of Huckel molecular orbital theory, Huckel and Mobius type cyclacenes were investigated in terms of their angle of total pi-electron energy, O pi, and cos O pi to find out how structural changes affect the stabilities. It has been theoretically deduced that as the number of benzenoid rings (R) increases the isomeric Huckel and Mobius type cyclacenes should have comparable stabilities, although for low values of R odd-Huckel type and even-Mobius type are predicted to be more stable.