AM1 treatment of cyclophanes with vinylic bridges


Turker L.

POLYCYCLIC AROMATIC COMPOUNDS, vol.13, no.1, pp.25-31, 1999 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 13 Issue: 1
  • Publication Date: 1999
  • Doi Number: 10.1080/10406639908020540
  • Journal Name: POLYCYCLIC AROMATIC COMPOUNDS
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Page Numbers: pp.25-31
  • Middle East Technical University Affiliated: No

Abstract

Semi-empirical molecular orbital treatment at the level of AM1 type has been performed on the cyclophanes having vinylic bridges. The Hamiltonicity of the cyclophanes is introduced. It has been found that within the isomeric set of these endothermic compounds, the least and the most endothermic ones are Hamiltonian and nonHamiltonian, respectively.