title: A nonclassical dihydrogen adduct of S = ½ Fe(I).
abstract: We have exploited the capacity of the "(SiP(iPr)(3))Fe(I)" scaffold to accommodate additional axial ligands and characterized the mononuclear S = ½ H(2) adduct complex (SiP(iPr)(3))Fe(I)(H(2)). 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 H(2) ligand at 2 K dynamically reorients within the ligand-binding pocket, tunneling among the energy minima created by strong interactions with the three Fe-P bonds.
authors.affiliation: Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, USA.
authors.forename: Yunho
authors.initials: Y
authors.lastname: Lee
authors.forename: R Adam
authors.initials: RA
authors.lastname: Kinney
authors.forename: Brian M
authors.initials: BM
authors.lastname: Hoffman
authors.forename: Jonas C
authors.initials: JC
authors.lastname: Peters
mesh_terms: D018360:Crystallography, X-Ray; D005296:Ferrous Compounds / Q000138:chemical synthesis / Q000737:chemistry*; D006859:Hydrogen / Q000737:chemistry*; D008958:Models, Molecular; D015394:Molecular Structure
chemical_list: D005296:Ferrous Compounds; D006859:Hydrogen