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Multiple Metal–Metal Bonds in Iron–Chromium Complexes

Authors

  • P. Alex Rudd,

    1. Department of Chemistry and Supercomputing Institute, University of Minnesota, 207 Pleasant St SE, Minneapolis, MN 55455 (USA)
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  • Shengsi Liu,

    1. Department of Chemistry and Supercomputing Institute, University of Minnesota, 207 Pleasant St SE, Minneapolis, MN 55455 (USA)
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  • Dr. Nora Planas,

    1. Department of Chemistry and Supercomputing Institute, University of Minnesota, 207 Pleasant St SE, Minneapolis, MN 55455 (USA)
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  • Dr. Eckhard Bill,

    1. Max Planck Institut für chemische Energiekonversion, Stiftstrasse 34–36, 45470 Mülheim an der Ruhr (Germany)
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  • Prof. Dr. Laura Gagliardi,

    Corresponding author
    1. Department of Chemistry and Supercomputing Institute, University of Minnesota, 207 Pleasant St SE, Minneapolis, MN 55455 (USA)
    • Department of Chemistry and Supercomputing Institute, University of Minnesota, 207 Pleasant St SE, Minneapolis, MN 55455 (USA)===

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  • Prof. Dr. Connie C. Lu

    Corresponding author
    1. Department of Chemistry and Supercomputing Institute, University of Minnesota, 207 Pleasant St SE, Minneapolis, MN 55455 (USA)
    • Department of Chemistry and Supercomputing Institute, University of Minnesota, 207 Pleasant St SE, Minneapolis, MN 55455 (USA)===

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  • Adam D. Miller (NSF-LANDO) gave synthetic assistance. We thank Andy Fielding for help with EPR spectra, and Prof. J. Ellis and Prof. D. Leopold for helpful discussions. We thank Dr. Victor G. Young, Jr. for sharing his crystallographic expertise. This work was funded by the University of Minnesota and the ACS PRF. The computational research (L.G., S.L., N.P.) was supported by the Office of Basic Energy Sciences, Heavy Element Chemistry program (USDOE/DE-SC002183).

Abstract

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Mix and match: The first structural examples of M[BOND]M multiple bonds between different first-row transition metals are elucidated using X-ray crystallography (see picture; Fe pink, Cr green, P yellow, N blue), spectroscopic methods, and calculations. The Fe[BOND]Cr bonds are ultrashort (<2 Å) with highly delocalized σ and π bonds and unusually large quadrupole splittings in Mössbauer spectroscopy.

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