A Dimeric Hydride-Bridged Complex with Geometrically Distinct Iron Centers Giving Rise to an S = 3 Ground State

Anne K. Hickey, Samuel M. Greer, Juan A. Valdez-Moreira, Sean A. Lutz, Maren Pink, Jordan A. Degayner, T. David Harris, Stephen Hill, Joshua Telser, Jeremy M. Smith*

*Corresponding author for this work

Research output: Contribution to journalArticle

1 Scopus citations

Abstract

Structural and spectroscopic characterization of the dimeric iron hydride complex [Ph2B(tBuIm)2FeH]2 reveals an unusual structure in which a tetrahedral iron(II) site (S = 2) is connected to a square planar iron(II) site (S = 1) by two bridging hydride ligands. Magnetic susceptibility reveals strong ferromagnetic coupling between iron centers, with a coupling constant of J = +110(12) cm-1, to give an S = 3 ground state. High-frequency and -field electron paramagnetic resonance (HFEPR) spectroscopy confirms this model. A qualitative molecular orbital analysis of the electronic structure, as supported by electronic structure calculations, reveals that the observed spin configuration results from the orthogonal alignment of two geometrically distinct four-coordinate iron fragments held together by highly covalent hydride ligands.

Original languageEnglish (US)
Pages (from-to)11970-11975
Number of pages6
JournalJournal of the American Chemical Society
Volume141
Issue number30
DOIs
StatePublished - Jul 31 2019

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

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    Hickey, A. K., Greer, S. M., Valdez-Moreira, J. A., Lutz, S. A., Pink, M., Degayner, J. A., Harris, T. D., Hill, S., Telser, J., & Smith, J. M. (2019). A Dimeric Hydride-Bridged Complex with Geometrically Distinct Iron Centers Giving Rise to an S = 3 Ground State. Journal of the American Chemical Society, 141(30), 11970-11975. https://doi.org/10.1021/jacs.9b04389