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.

Sulfur K-edge X-ray absorption spectroscopy (XAS) and density functional theory (DFT) calculations have been used to determine the electronic structures of two Mo bis-dithiolene complexes, [Mo(OSi)(bdt)] and [MoO(OSi)(bdt)], where OSi = [OSiPhBu] and bdt = benzene-1,2-dithiolate(2-), that model the...

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Publicado en:	Journal of the American Chemical Society Vol. 132; no. 24; pp. 8359 - 8372
Autores principales:	Tenderholt, Adam L., Jun-Jieh Wang, Szilagyi, Robert K., Holm, Richard H., Hodgson, Keith O., Hedman, Britt, Solomon, Edward I.
Formato:	Artículo
Publicado:	American Chemical Society 6/23/2010
Materias:	Oxo process X-ray absorption near edge structure Density functionals Oxygen content of metal Molybdenum enzymes Ligands (Chemistry) Sulfur compounds
Acceso en línea:	Ver este registro en EBSCOhost