Theoretical optical spectra of some [2(2)](1,4)-cyclophane fused tetraazaporphyrins
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.588, ss.133-138, 2002 (SCI-Expanded)
- Yayın Türü: Makale / Tam Makale
- Cilt numarası: 588
- Basım Tarihi: 2002
- Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
- Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED)
- Sayfa Sayıları: ss.133-138
- Orta Doğu Teknik Üniversitesi Adresli: Hayır
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.