학술논문
Ligand K-edge X-ray absorption spectroscopy of [Fe(sub 4)S(sub 4)](super 1+, 2+, 3+) clusters: changes in bonding and electronic relaxation upon redox
Document Type
Academic Journal
Author
Source
Journal of the American Chemical Society. July 7, 2004, Vol. 126 Issue 26, p8320, 9 p.
Subject
Language
English
ISSN
0002-7863
Abstract
Sulfur K-edge X-ray absorption spectroscopy (XAS) of the model complex [Fe(sub 4)S(sub 4)](super 1+, 2+, 3+) having both thiolate and sulfide ligands are studied and compared to results from DFT calculations on the resulting [Fe(sub 4)S(sub 4)](super 2+). The results reveal that the redox active molecular orbital (RAMO) of high potential proteins (HiPIPs) has 50% ligand character, and hence the HiPIP redox couple involves limited electronic relaxation.