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Sulfur K-Edge X-ray Absorption Spectroscopy and Density Functional Theory Calculations on Monooxo Mo and Bisoxo Mo Bisdithiolenes: Insights into the Mechanism of Oxo Transfer in Sulfite Oxidase and Its Relation to the...

Sulfur K-edge X-ray absorption spectroscopy (XAS) and density functional theory (DFT) calculations have been used to determine the electronic structures of two complexes [MolvO(bdt)2]2- and [Movl0 2(bdt)2]2- (bdt = benzene-1,2-dithiolate(2—)) that relate to the reduced and oxidized forms of sulfite...

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Published in:Journal of the American Chemical Society Vol. 136; no. 25; pp. 9094 - 9106
Main Authors: Yang Ha, Tenderholt, Adam L., Holm, Richard H., Hedman, Britt, Hodgson, Keith O., Solomon, Edward I.
Format: Article
Published: American Chemical Society 6/25/2014
Subjects:
Electronic structure
X-ray absorption
Density functional theory
Molybdenum compounds
Oxo compounds
Dimethyl sulfoxide reductase
Energy transfer
Online Access:View this record in EBSCOhost