{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Grunwald L"],"funding":["European Research Council"],"pagination":["1315-1322"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC11040707"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["4(4)"],"pubmed_abstract":["We investigated room-temperature metal and ligand K-edge X-ray absorption (XAS) spectra of a complete redox series of cubane-type iron-sulfur clusters. The Fe K-edge position provides a qualitative but convenient alternative to the traditional spectroscopic descriptors used to identify oxidation states in these systems, which we demonstrate by providing a calibration curve based on two analytic methods. Furthermore, high energy resolution fluorescence detected XAS (HERFD-XAS) at the S K-edge was used to measure Fe-S bond covalencies and record their variation with the average valence of the Fe atoms. While the Fe-S(thiolate) covalency evolves linearly, gaining 11 ± 0.4% per bond and hole, the Fe-S(μ<sup>3</sup>) covalency evolves asystematically, reflecting changes in the magnetic exchange"],"journal":["JACS Au"],"pubmed_title":["Gauging Iron-Sulfur Cubane Reactivity from Covalency: Trends with Oxidation State."],"pmcid":["PMC11040707"],"funding_grant_id":["853064"],"pubmed_authors":["Mougel V","Abbott DF","Grunwald L"],"additional_accession":[]},"is_claimable":false,"name":"Gauging Iron-Sulfur Cubane Reactivity from Covalency: Trends with Oxidation State.","description":"We investigated room-temperature metal and ligand K-edge X-ray absorption (XAS) spectra of a complete redox series of cubane-type iron-sulfur clusters. The Fe K-edge position provides a qualitative but convenient alternative to the traditional spectroscopic descriptors used to identify oxidation states in these systems, which we demonstrate by providing a calibration curve based on two analytic methods. Furthermore, high energy resolution fluorescence detected XAS (HERFD-XAS) at the S K-edge was used to measure Fe-S bond covalencies and record their variation with the average valence of the Fe atoms. While the Fe-S(thiolate) covalency evolves linearly, gaining 11 ± 0.4% per bond and hole, the Fe-S(μ<sup>3</sup>) covalency evolves asystematically, reflecting changes in the magnetic exchange","dates":{"release":"2024-01-01T00:00:00Z","publication":"2024 Apr","modification":"2026-06-01T21:54:26.065Z","creation":"2025-04-06T03:16:38.541Z"},"accession":"S-EPMC11040707","cross_references":{"pubmed":["38665672"],"doi":["10.1021/jacsau.4c00213"]}}