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Originally published in Science Express on 1 June 2006
Science 30 June 2006:
Vol. 312. no. 5782, pp. 1937 - 1941
DOI: 10.1126/science.1128506
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Reports

An Octahedral Coordination Complex of Iron(VI)

John F. Berry,1* Eckhard Bill,1 Eberhard Bothe,1 Serena DeBeer George,2 Bernd Mienert,1 Frank Neese,1{dagger} Karl Wieghardt1{ddagger}

The hexavalent state, considered to be the highest oxidation level accessible for iron, has previously been found only in the tetrahedral ferrate dianion, FeO42–. 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 FeFormula N triple bond of 1.57 angstroms and a singlet Formula ground electronic configuration. The compound is stable at 77 kelvin and yields a high-spin Fe(III) species upon warming.

1 Max-Planck-Institut für Bioanorganische Chemie, Stiftstrasse 34-36, D-45470 Mülheim an der Ruhr, Germany.
2 Stanford Synchrotron Radiation Laboratory, Stanford University, Stanford, CA 94309, USA.

* Present address: Department of Chemistry, University of Wisconsin, 1101 University Avenue, Madison, WI 53706, USA.

{dagger} Present address: Institut für Physikalische und Theoretische Chemie, Universität Bonn, D-53115 Bonn, Germany.

{ddagger} To whom correspondence should be addressed. E-mail: wieghardt{at}mpi-muelheim.mpg.de

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THIS ARTICLE HAS BEEN CITED BY OTHER ARTICLES:
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J. T. Lyon, H.-S. Hu, L. Andrews, and J. Li (2007)
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