AM1 treatment of cyclophanes with vinylic bridges

Turker L.

POLYCYCLIC AROMATIC COMPOUNDS, cilt.13, sa.1, ss.25-31, 1999 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 13 Sayı: 1
  • Basım Tarihi: 1999
  • Doi Numarası: 10.1080/10406639908020540
  • Dergi Adı: POLYCYCLIC AROMATIC COMPOUNDS
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.25-31
  • Orta Doğu Teknik Üniversitesi Adresli: Hayır

Özet

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.