Hydrogen radical chemistry at high-symmetry {2Fe2S} centers probed using a muonium surrogate

Wright, Joseph A., Haque, Farhana, Liborio, Leandro and Cottrell, Stephen P. (2025) Hydrogen radical chemistry at high-symmetry {2Fe2S} centers probed using a muonium surrogate. Inorganic Chemistry, 64 (10). 5053–5058. ISSN 0020-1669

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Abstract

Redox-active metal hydrides are of central importance in the development of novel hydrogen generation catalysts. Direct insight into open-shell hydrides is, however, difficult to obtain. One approach to gain this information is to use muonium (Mu• = μ+ e–) as a surrogate for the hydrogen radical. The chemistry of Mu• is analogous to H•; however, the species provides a highly sensitive probe through detection of the positrons arising from the muon decay (with a lifetime of ∼2.2 μs) and can therefore provide unique information about hyperfine couplings and thus molecular structure. Using this approach, we demonstrate here that the high-symmetry {2Fe2S} systems Fe2(edt)(CO)4L2 (edt = ethane-1,2-dithiolato; L = CO, PMe3, CN–) form bridging radicals directly on the time scale of the muon experiment. We also extend our computational approach to detail all of the possible addition sites in solid state samples.

Item Type:	Article
Faculty \ School:	Faculty of Science > School of Chemistry, Pharmacy and Pharmacology Faculty of Science > School of Chemistry (former - to 2024)
Related URLs:	http://www.scopus.com/inward/record.url?...
Depositing User:	LivePure Connector
Date Deposited:	24 Feb 2025 13:30
Last Modified:	06 Nov 2025 01:34
URI:	https://ueaeprints.uea.ac.uk/id/eprint/98570
DOI:	10.1021/acs.inorgchem.4c05126

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