A Nonclassical Dihydrogen Adduct of S = 1/2 Fe(I).

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Bibliographic Details
Title: A Nonclassical Dihydrogen Adduct of S = 1/2 Fe(I).
Authors: Yunho Lee1, Kinney, R. Adam1, Hoffman, Brian M.1, Peters, Jonas C.2
Source: Journal of the American Chemical Society. 10/19/2011, Vol. 133 Issue 41, p16366-16369. 4p.
Subjects: Ligand binding (Biochemistry), Hydrogen, Iron, Hydrogenase, Nitrogenases, Nuclear magnetic resonance spectroscopy
Abstract: We have exploited the capacity of the "(SiPiPr3)Fe(I)" scaffold to accommodate additional axial ligands and characterized the mononuclear S = 1/2 H2 adduct complex (SiPiPr3)Fe1(H2). EPR and ENDOR data, in the context of X-ray structural results, revealed that this complex provides a highly unusual example of an open-shell metal complex that binds dihydrogen as a ligand. The H2 ligand at 2K dynamically reorients within the ligand-binding pocket, tunneling among the energy minima created by strong interactions with the three Fe-P bonds. [ABSTRACT FROM AUTHOR]
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Abstract:We have exploited the capacity of the "(SiPiPr3)Fe(I)" scaffold to accommodate additional axial ligands and characterized the mononuclear S = 1/2 H2 adduct complex (SiPiPr3)Fe1(H2). EPR and ENDOR data, in the context of X-ray structural results, revealed that this complex provides a highly unusual example of an open-shell metal complex that binds dihydrogen as a ligand. The H2 ligand at 2K dynamically reorients within the ligand-binding pocket, tunneling among the energy minima created by strong interactions with the three Fe-P bonds. [ABSTRACT FROM AUTHOR]
ISSN:00027863
DOI:10.1021/ja207003m