Theoretical optical spectra of some [2(2)](1,4)-cyclophane fused tetraazaporphyrins
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, vol.588, pp.133-138, 2002 (SCI-Expanded)
- Publication Type: Article / Article
- Volume: 588
- Publication Date: 2002
- Journal Name: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
- Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED)
- Page Numbers: pp.133-138
- Middle East Technical University Affiliated: No
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.