Theoretical electronic spectra for models having ferredoxin-core


Turker L.

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

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.