[2(2)]-para-cyclophane-fused tetraazaporphyrins-AM1 treatment


Turker L.

POLYCYCLIC AROMATIC COMPOUNDS, vol.18, no.2, pp.211-220, 2000 (Peer-Reviewed Journal) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 18 Issue: 2
  • Publication Date: 2000
  • Doi Number: 10.1080/10406630008028146
  • Journal Name: POLYCYCLIC AROMATIC COMPOUNDS
  • Journal Indexes: Science Citation Index Expanded, Scopus
  • Page Numbers: pp.211-220

Abstract

Di- and tri- [2(2)]-para-cyclophane fused metal-free tetraazaporpyrins were subjected to AM1 type semiempirical molecular orbital treatment. The calculations predict that they should be stable but endothermic structures. Some quantum chemical and physicochemical properties of them have been presented as well.