ArticleInorganic chemistry2013
Characterization of monomeric Mn(II/III/IV)-hydroxo complexes from X- and Q-band dual mode electron paramagnetic resonance (EPR) spectroscopy.
Article in Inorganic chemistry, 2013. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
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16 citing papers in PubMed.
- Steric Mapping, Ligand Dynamics, and Cycloisomerization Catalysis with Redox Robust MnOrganometallics · 2026Article
- Synthesis, characterization and reactivity of a Mn(III)-hydroxido complex as a biomimetic model for lipoxygenase.Journal of inorganic biochemistry · 2024Article
- Electronic Structure of Three-Coordinate FeInorganic chemistry · 2024Article
- Accessing a synthetic FeChemical science · 2024Article
- Syntheses, Structural Characterization, and Cytotoxicity Assessment of Novel Mn(II) and Zn(II) Complexes of Aroyl-Hydrazone Schiff Base Ligand.ACS omega · 2023Article
- Quinol-containing ligands enable high superoxide dismutase activity by modulating coordination number, charge, oxidation states and stability of manganese complexes throughout redox cycling.Chemical science · 2021Article
- Article
- Mononuclear Manganese(III) Superoxo Complexes: Synthesis, Characterization, and Reactivity.Inorganic chemistry · 2019Article
- Regulating the Basicity of Metal-Oxido Complexes with a Single Hydrogen Bond and Its Effect on C-H Bond Cleavage.Journal of the American Chemical Society · 2019Article
- Manganese-Hydroxido Complexes Supported by a Urea/Phosphinic Amide Tripodal Ligand.Inorganic chemistry · 2018Article
- Structurally characterized terminal manganese(iv) oxo tris(alkoxide) complex.Chemical science · 2018Article
- Fast Hydrogen Atom Abstraction by a Hydroxo Iron(III) Porphyrazine.Journal of the American Chemical Society · 2017Article
- Interaction of methanol with the oxygen-evolving complex: atomistic models, channel identification, species dependence, and mechanistic implications.Chemical science · 2016Article
- A five-coordinate Mn(iv) intermediate in biological water oxidation: spectroscopic signature and a pivot mechanism for water binding.Chemical science · 2016Article
- High-spin Mn-oxo complexes and their relevance to the oxygen-evolving complex within photosystem II.Proceedings of the National Academy of Sciences of the United States of America · 2015Article
- Preparation and Properties of an MnChemical science · 2014Article
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Abstract
Manganese-hydroxo species have been implicated in C-H bond activation performed by metalloenzymes, but the electronic properties of many of these intermediates are not well characterized. The present work presents a detailed characterization of three Mn(n)-OH complexes (where n = II, III, and IV) of the tris[(N'-tert-butylureaylato)-N-ethylene]aminato ([H3buea](3-)) ligand using X- and Q-band dual mode electron paramagnetic resonance (EPR). Quantitative simulations for the [Mn(II)H3buea(OH)](2-) complex demonstrated the ability to characterize similar Mn(II) species commonly present in the resting states of manganese-containing enzymes. The spin states of the Mn(III) and Mn(IV) complexes determined from EPR spectroscopy are S = 2 and 3/2, respectively, as expected for the C3 symmetry imposed by the [H3buea](3-) ligand. Simulations of the spectra indicated the constant presence of two Mn(IV) species in solutions of [Mn(IV)H3buea(OH)] complex. The simulations of perpendicular- and parallel-mode EPR spectra allow determination of zero-field splitting and hyperfine parameters for all complexes. For the Mn(III) and Mn(IV) complexes, density functional theory calculations are used to determine the isotropic Mn hyperfine values, to compare the excited electronic state energies, and to give theoretical estimates of the zero-field energy.
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