Theoretical optical spectra of some [2(2)](1,4)-cyclophane fused tetraazaporphyrins


Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.588, ss.133-138, 2002 (SCI İndekslerine Giren Dergi) identifier

  • Cilt numarası: 588
  • Basım Tarihi: 2002
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Sayfa Sayıları: ss.133-138

Özet

ZINDO/S type semiempirical molecular orbital calculations were carried out on the benzo and [22](1,4)-cyclophane fused tetraazaporphyrins. The phane deck was found to be influential on UV-Vis singlet transitions causing some bathochromic shifts. (C) 2002 Elsevier Science B.V. All rights reserved.