Theoretical electronic spectra for models having ferredoxin-core


Turker L.

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, cilt.617, ss.133-139, 2002 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 617
  • Basım Tarihi: 2002
  • Doi Numarası: 10.1016/s0166-1280(02)00415-3
  • Dergi Adı: JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
  • Sayfa Sayıları: ss.133-139

Özet

Ferredoxin-core model [Fe4S4] type iron-sulfur cluster having four cysteine moieties in the amide form, has been considered theoretically for electronic excitation spectrum. The neutral as well as the -/+ 2 charged forms of the model have been investigated within the restrictions of ZINDO/S (RHF) approach involving configuration interaction considerations. The charged forms, especially the negative one exhibited some bathochromic shift and hyperchromic effect. (C) 2002 Elsevier Science B.V. All rights reserved.