Abstract
Ferredoxin-core model [Fe 4S 4] 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.
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