Journal
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Volume 133, Issue 46, Pages 18606-18609Publisher
AMER CHEMICAL SOC
DOI: 10.1021/ja2087536
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Funding
- EPSRC
- University of East Anglia
- Biotechnology and Biological Sciences Research Council [BB/E023290/1] Funding Source: researchfish
- Engineering and Physical Sciences Research Council [GR/T01754/01] Funding Source: researchfish
- BBSRC [BB/E023290/1] Funding Source: UKRI
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Paramagnetic hydrides are likely intermediates in hydrogen-evolving enzymic and molecular systems. Herein we report the first spectroscopic characterization of well-defined paramagnetic bridging hydrides. Time-resolved FTIR spectroelectrochemical experiments on a sub-second time scale revealed that single-electron transfer to the mu-hydride di-iron dithiolate complex 1 generates a 37-electron valence-delocalized species with no gross structural reorganization of the coordination sphere. DFT calculations support and H-1 and H-2 EPR measurements confirmed the formation an S = 1/2, paramagnetic complex (g = 2.0066) in which the unpaired spin density is essentially symmetrically distributed over the two iron atoms with strong hyperfine coupling to the bridging hydride (A(iso) = 75.8 MHz).
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