{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"submitter":["Spentzos AZ"],"funding":["University of Pennsylvania","National Institute of General Medical Sciences","NIGMS NIH HHS"],"pagination":["11487-11499"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC11071007"],"repository":["biostudies-literature"],"omics_type":["Unknown"],"volume":["62(29)"],"pubmed_abstract":["This article describes the synthesis, characterization, and S-atom transfer reactivity of a series of <i>C</i><sub>3<i>v</i></sub>-symmetric diiron complexes. The iron centers in each complex are coordinated in distinct ligand environments, with one (Fe<sub>N</sub>) bound in a pseudo-trigonal bipyramidal geometry by three phosphinimine nitrogens in the equatorial plane, a tertiary amine, and the second metal center (Fe<sub>C</sub>). Fe<sub>C</sub> is coordinated, in turn, by Fe<sub>N</sub>, three ylidic carbons in a trigonal plane, and, in certain cases, by an axial oxygen donor. The three alkyl donors at Fe<sub>C</sub> form through the reduction of the appended N═PMe<sub>3</sub> arms of the monometallic parent complex. The complexes were studied crystallographically, spectroscopically (NMR, UV-vis, and Mössbauer), and computationally (DFT, CASSCF) and found to be high-spin throughout, with short Fe-Fe distances that belie weak orbital overlap between the two metals. Further, the redox nature of this series allowed for the determination that oxidation is localized to the Fe<sub>C</sub>. S-atom transfer chemistry resulted in the formal insertion of a S atom into the Fe-Fe bond of the reduced diiron complex to form a mixture of Fe<sub>4</sub>S and Fe<sub>4</sub>S<sub>2</sub> products."],"journal":["Inorganic chemistry"],"pubmed_title":["Investigating Metal-Metal Bond Polarization in a Heteroleptic Tris-Ylide Diiron System."],"pmcid":["PMC11071007"],"funding_grant_id":["R01 GM119374","R35 GM128794","R35GM128794","R01GM119374"],"pubmed_authors":["Confer AM","Spentzos AZ","May SR","Carroll PJ","Gau MR","Goldberg DP","Tomson NC"],"additional_accession":[]},"is_claimable":false,"name":"Investigating Metal-Metal Bond Polarization in a Heteroleptic Tris-Ylide Diiron System.","description":"This article describes the synthesis, characterization, and S-atom transfer reactivity of a series of <i>C</i><sub>3<i>v</i></sub>-symmetric diiron complexes. The iron centers in each complex are coordinated in distinct ligand environments, with one (Fe<sub>N</sub>) bound in a pseudo-trigonal bipyramidal geometry by three phosphinimine nitrogens in the equatorial plane, a tertiary amine, and the second metal center (Fe<sub>C</sub>). Fe<sub>C</sub> is coordinated, in turn, by Fe<sub>N</sub>, three ylidic carbons in a trigonal plane, and, in certain cases, by an axial oxygen donor. The three alkyl donors at Fe<sub>C</sub> form through the reduction of the appended N═PMe<sub>3</sub> arms of the monometallic parent complex. The complexes were studied crystallographically, spectroscopically (NMR, UV-vis, and Mössbauer), and computationally (DFT, CASSCF) and found to be high-spin throughout, with short Fe-Fe distances that belie weak orbital overlap between the two metals. Further, the redox nature of this series allowed for the determination that oxidation is localized to the Fe<sub>C</sub>. S-atom transfer chemistry resulted in the formal insertion of a S atom into the Fe-Fe bond of the reduced diiron complex to form a mixture of Fe<sub>4</sub>S and Fe<sub>4</sub>S<sub>2</sub> products.","dates":{"release":"2023-01-01T00:00:00Z","publication":"2023 Jul","modification":"2025-05-18T13:27:18.952Z","creation":"2025-05-18T13:27:18.952Z"},"accession":"S-EPMC11071007","cross_references":{"pubmed":["37428000"],"doi":["10.1021/acs.inorgchem.3c01068"]}}