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 language | English (US) |
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Pages (from-to) | 11970-11975 |
Number of pages | 6 |
Journal | Journal of the American Chemical Society |
Volume | 141 |
Issue number | 30 |
DOIs | |
State | Published - Jul 31 2019 |
ASJC Scopus subject areas
- Catalysis
- General Chemistry
- Biochemistry
- Colloid and Surface Chemistry
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CCDC 1942626: Experimental Crystal Structure Determination
Hickey, A. K. (Contributor), Greer, S. M. (Contributor), Valdez-Moreira, J. A. (Contributor), Lutz, S. A. (Contributor), Pink, M. (Contributor), Degayner, J. A. (Contributor), Harris, T. D. (Contributor), Hill, S. (Contributor), Telser, J. (Contributor) & Smith, J. M. (Contributor), Cambridge Crystallographic Data Centre, 2019
DOI: 10.5517/ccdc.csd.cc236gc5, http://www.ccdc.cam.ac.uk/services/structure_request?id=doi:10.5517/ccdc.csd.cc236gc5&sid=DataCite
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