biostudies-literatureCrossland PMGeneralitat de CatalunyaCarnegie Mellon UniversityMinisterio de Ciencia, Innovación y UniversidadesBasic Energy SciencesUniversity of MinnesotaNational Institutes of HealthNational Institute of General Medical SciencesNIGMS NIH HHS19608-19613https://www.ebi.ac.uk/biostudies/studies/S-EPMC12495302biostudies-literatureUnknown16(42)Di-iron systems that activate O2 to form high-valent, oxo-bridged FeIV 2 or FeIIIFeIV products are of great interest to bio-inorganic chemists due to their relevance to the chemistry of soluble methane mono-oxygenase (sMMOH), which incorporates both atoms of O2 gas into a diiron(iv) complex with an Fe2O2 diamond core. In this study, the [FeIII 2(Me3NTB)2(μ-O)(μ-O 2)]2+ adduct (Me3NTB = tris((1-methyl-1H-benzo[d]imidazole-2-yl)methyl)amine) reacts with two Sc3+ to break the O-O bond that in turn forms the target FeIV(μ-O)2FeIV product. This study provides the first evidenChemical scienceMimicking sMMOH chemistry: trapping the Sc3+-bound nonheme FeIII-O-O-FeIII adduct prior to its conversion into an FeIV 2(μ-O)2 core.PMC12495302P30GM133894R01 GM-125924PID2023-152415NB-I00R01 GM125924R35 GM131721R35 GM-131721P30 GM1338942021SGR00487DE-AC02-76SF00515Banerjee SQue LCrossland PMGuo YChandra BAbelson CSSwart MfalseMimicking sMMOH chemistry: trapping the Sc3+-bound nonheme FeIII-O-O-FeIII adduct prior to its conversion into an FeIV 2(μ-O)2 core.Di-iron systems that activate O2 to form high-valent, oxo-bridged FeIV 2 or FeIIIFeIV products are of great interest to bio-inorganic chemists due to their relevance to the chemistry of soluble methane mono-oxygenase (sMMOH), which incorporates both atoms of O2 gas into a diiron(iv) complex with an Fe2O2 diamond core. In this study, the [FeIII 2(Me3NTB)2(μ-O)(μ-O 2)]2+ adduct (Me3NTB = tris((1-methyl-1H-benzo[d]imidazole-2-yl)methyl)amine) reacts with two Sc3+ to break the O-O bond that in turn forms the target FeIV(μ-O)2FeIV product. This study provides the first eviden2025-01-01T00:00:00Z2025 Oct2026-06-05T08:46:02.816Z2026-05-14T03:12:30.766ZS-EPMC124953024105058510.1039/d5sc05667e