title: An octahedral coordination complex of iron(VI).
abstract: The hexavalent state, considered to be the highest oxidation level accessible for iron, has previously been found only in the tetrahedral ferrate dianion, FeO4(2-). We report the photochemical synthesis of another Fe(VI) compound, an octahedrally coordinated dication bearing a terminal nitrido ligand. Mössbauer and x-ray absorption spectra, supported by density functional theory, are consistent with the octahedral structure having an FeN triple bond of 1.57 angstroms and a singlet d2(xy) ground electronic configuration. The compound is stable at 77 kelvin and yields a high-spin Fe(III) species upon warming.
authors.affiliation: Max-Planck-Institut für Bioanorganische Chemie, Stiftstrasse 34-36, D-45470 Mülheim an der Ruhr, Germany.
authors.forename: John F
authors.initials: JF
authors.lastname: Berry
authors.forename: Eckhard
authors.initials: E
authors.lastname: Bill
authors.forename: Eberhard
authors.initials: E
authors.lastname: Bothe
authors.forename: Serena DeBeer
authors.initials: SD
authors.lastname: George
authors.forename: Bernd
authors.initials: B
authors.lastname: Mienert
authors.forename: Frank
authors.initials: F
authors.lastname: Neese
authors.forename: Karl
authors.initials: K
authors.lastname: Wieghardt
mesh_terms: D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003080:Cold Temperature; D004563:Electrochemistry; D007501:Iron / Q000737:chemistry*; D007536:Isomerism; D008958:Models, Molecular; D015394:Molecular Structure; D009584:Nitrogen / Q000737:chemistry; D009942:Organometallic Compounds / Q000737:chemistry*; D010084:Oxidation-Reduction; D010777:Photochemistry; D010782:Photolysis; D013055:Spectrophotometry, Infrared; D015204:Spectroscopy, Mossbauer; D013057:Spectrum Analysis
chemical_list: D009942:Organometallic Compounds; D007501:Iron; D009584:Nitrogen