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

Turker L.

POLYCYCLIC AROMATIC COMPOUNDS, cilt.18, sa.2, ss.211-220, 2000 (SCI-Expanded) identifier identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 18 Sayı: 2
  • Basım Tarihi: 2000
  • Doi Numarası: 10.1080/10406630008028146
  • Dergi Adı: POLYCYCLIC AROMATIC COMPOUNDS
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.211-220
  • Orta Doğu Teknik Üniversitesi Adresli: Hayır

Özet

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.