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


Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.588, pp.133-138, 2002 (Journal Indexed in SCI) identifier

  • Publication Type: Article / Article
  • Volume: 588
  • Publication Date: 2002
  • Title of Journal : JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Page Numbers: pp.133-138

Abstract

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.