Sulfur K-edge X-ray absorption spectroscopy and density functional calculations on Mo(IV) and Mo(VI)=O Bis-dithiolenes: Insights into the mechanism of oxo transfer in DMSO reductase and related functional analogues

Journal of the American Chemical Society

Volumn 132, Issue 24, 2010, Pages 8359-8371

  Tenderholt, Adam L ^a   Wang, Jun Jieh ^b   Szilagyi, Robert K ^a,d   Holm, Richard H ^b   Hodgson, Keith O ^a,c   Hedman, Britt ^b   Solomon, Edward I ^a,c  

^a STANFORD UNIVERSITY   (United States)

^b HARVARD UNIVERSITY   (United States)

^c SLAC NATIONAL ACCELERATOR LABORATORY   (United States)

^d MONTANA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY CALCULATIONS; DENSITY-FUNCTIONAL CALCULATIONS; DITHIOLATES; DITHIOLENE; MOLYBDENUM ENZYMES; SULFUR K-EDGE; TRANSFER PROCESS; TRANSFER REACTION; TRANSITION STATE;

ABSORPTION; BENZENE; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; LIGANDS; MOLYBDENUM; MOLYBDENUM COMPOUNDS; REACTION INTERMEDIATES; SULFUR; X RAY ABSORPTION; X RAY ABSORPTION SPECTROSCOPY;

ABSORPTION SPECTROSCOPY;

BENZENE DERIVATIVE; DIMETHYL SULFOXIDE REDUCTASE; LIGAND; METAL; MOLYBDENUM; SULFUR;

ABSORPTION SPECTROSCOPY; ARTICLE; CALCULATION; CHEMICAL REACTION; DENSITY FUNCTIONAL THEORY; ELECTRONICS; ENERGY; INTROSPECTION; MODEL; OXIDATION; PROTEIN FAMILY; VALIDATION STUDY; X RAY SPECTROMETRY;

CATALYTIC DOMAIN; IRON-SULFUR PROTEINS; MODELS, MOLECULAR; MOLYBDENUM; ORGANOMETALLIC COMPOUNDS; OXIDOREDUCTASES; QUANTUM THEORY; SULFUR; X-RAY ABSORPTION SPECTROSCOPY;

EID: 77953623276     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja910369c     Document Type: Article

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