X-ray absorption spectroscopy and density functional theory studies of [(H3buea)FeIII-X]n- (X = S2-, O 2-, OH-): Comparison of bonding and hydrogen bonding in oxo and sulfido complexes

Journal of the American Chemical Society

Volumn 128, Issue 30, 2006, Pages 9825-9833

  Dey, Abhishek ^a   Hocking, Rosalie K ^a   Larsen, Peter ^b   Borovik, Andrew S ^b   Hodgson, Keith O ^a,c   Hedman, Britt ^c   Solomon, Edward I ^a  

^a STANFORD UNIVERSITY   (United States)

^b UNIVERSITY OF KANSAS   (United States)

^c SLAC NATIONAL ACCELERATOR LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CORRELATION METHODS; ELECTRONIC STRUCTURE; IRON COMPOUNDS; OXYGEN; PROBABILITY DENSITY FUNCTION; X RAY SPECTROSCOPY;

LIGANDS; METAL-LIGAND BONDING; SULFIDO COMPLEXES; X-RAY ABSORPTION SPECTROSCOPY;

HYDROGEN BONDS;

FERREDOXIN; RUBREDOXIN;

ABSORPTION SPECTROSCOPY; ARTICLE; COMPARATIVE STUDY; COMPLEX FORMATION; COVALENT BOND; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSPORT; ENZYME ACTIVE SITE; HYDROGEN BOND; LIGAND BINDING; PHASE TRANSITION; STRUCTURE ANALYSIS; X RAY SPECTROMETRY;

EID: 84962406568     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja061618x     Document Type: Article

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