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


Turker L.

POLYCYCLIC AROMATIC COMPOUNDS, cilt.18, ss.211-220, 2000 (SCI İndekslerine Giren Dergi) identifier identifier identifier

  • Cilt numarası: 18 Konu: 2
  • Basım Tarihi: 2000
  • Doi Numarası: 10.1080/10406630008028146
  • Dergi Adı: POLYCYCLIC AROMATIC COMPOUNDS
  • Sayfa Sayıları: ss.211-220

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.