X-ray Absorption Spectroscopy and Density Functional Theory Studies of [(Hbuea)FeX] (X = S, O, OH): Comparison of Bonding and Hydrogen Bonding in Oxo and Sulfido Complexes.

Iron L-edge, iron L-edge, and sulfur K-edge X-ray absorption spectroscopy was performed on a series of compounds [FeHbuea(X)] (X = S, O, OH). The experimentally determined electronic structures were used to correlate to density functional theory calculations. Calculations supported by the data were...

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Publicado en:	Journal of the American Chemical Society Vol. 128; no. 30; pp. 9825 - 9834
Autores principales:	Dey, Abhishek, Hocking, Rosalie K., Larsen, Peter, Borovik, Andrew S., Hodgson, Keith O., Hedman, Britt, Solomon, Edward I.
Formato:	Artículo
Publicado:	American Chemical Society 8/2/2006
Materias:	X-ray spectroscopy Spectrum analysis Density functionals Functional analysis Ligand binding (Biochemistry) Biochemistry
Acceso en línea:	Ver este registro en EBSCOhost