Ligand driven heterolytic O–O bond cleavage in a non-haem phenolato-Fe( iii )–OOH complex to yield a formal Fe( v )O intermediate

2025/01/01 by Daniël R. Duijnstee, Marika Di Berto Mancini, C. Maurits de Roo +5 · 1 voice
Chemistry · Biochemistry, Genetics and Molecular Biology · #Metal-Catalyzed Oxygenation Mechanisms #Porphyrin Metabolism and Disorders #Hemoglobin structure and function

paper · pdf · doi:10.1039/d5dt01477h

openalex publication_date 2025/01/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/01

Abstract

Observation of phenoxyl radical coupled products confirm the generation of an Fe( v )$O species by the heterolytic cleavage of the O–O bond of corresponding Fe( iii )–OOH species.

Citations

• A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
• Chemistry with ADF
• The spin-forbidden transition in iron(IV)-oxo catalysts relevant to two-state reactivity
• 10-Fold Increase in Hydrogen Atom Transfer Reactivity for a Series of S = 1 FeIV═O Complexes Over the S = 2 [(TQA)FeIV═O]2+ Complex via Entropic Lowering of Reaction Barriers by Secondary Sphere Cycloalkyl Substitution

Discussions

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