Spectroscopic and quantum chemical characterization of the electronic structure and bonding in a non-heme FeIV[double bond]O complex.
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Sulfur versus iron oxidation in an iron-thiolate model complexReactive intermediates in oxygenation reactions with mononuclear nonheme iron catalysts.Excited state potential energy surfaces and their interactions in Fe(IV)=O active sitesDirect spectroscopic detection of a C-H-cleaving high-spin Fe(IV) complex in a prolyl-4-hydroxylase.Magnetic circular dichroism and computational study of mononuclear and dinuclear iron(IV) complexes.Nonheme Oxoiron(IV) Complexes of Pentadentate N5 Ligands: Spectroscopy, Electrochemistry, and Oxidative Reactivity.Intramolecular gas-phase reactions of synthetic nonheme oxoiron(IV) ions: proximity and spin-state reactivity rulesA Mononuclear Carboxylate-Rich Oxoiron(IV) Complex: a Structural and Functional Mimic of TauD Intermediate 'J'Iron-oxidation-state-dependent O-O bond cleavage of meta-chloroperbenzoic acid to form an iron(IV)-oxo complex.Kinetic analysis of the conversion of nonheme (alkylperoxo)iron(III) species to iron(IV) complexes.Spectroscopic and quantum chemical studies on low-spin FeIV=O complexes: Fe-O bonding and its contributions to reactivity.Tryptophan-mediated charge-resonance stabilization in the bis-Fe(IV) redox state of MauG.Axial ligand effects on the geometric and electronic structures of nonheme oxoiron(IV) complexesElectronic structure and reactivity of three-coordinate iron complexesElectronic Structure of the Ferryl Intermediate in the α-Ketoglutarate Dependent Non-Heme Iron Halogenase SyrB2: Contributions to H Atom Abstraction ReactivityProton- and reductant-assisted dioxygen activation by a nonheme iron(II) complex to form an oxoiron(IV) intermediateAn inverted and more oxidizing isomer of [Fe(IV)(O)(tmc)(NCCH3)]2+A combined NRVS and DFT study of Fe(IV)=O model complexes: a diagnostic method for the elucidation of non-heme iron enzyme intermediates.Peroxo and oxo intermediates in mononuclear nonheme iron enzymes and related active sitesNovel Approaches for the Accumulation of Oxygenated Intermediates to Multi-Millimolar Concentrations.An Ultra-Stable Oxoiron(IV) Complex and Its Blue Conjugate Base.Computational modelling of oxygenation processes in enzymes and biomimetic model complexes.Spectroscopic and Computational Investigation of Low-Spin Mn(III) Bis(scorpionate) Complexes.Steric and electronic control over the reactivity of a thiolate-ligated Fe(II) complex with dioxygen and superoxide: reversible mu-oxo dimer formation.DFT characterization on the mechanism of water splitting catalyzed by single-Ru-substituted polyoxometalates.Quantum chemical characterization of the generation of high-valent oxoruthenium species of Keggin type polyoxometalates: electronic structure and bonding features.Spectroscopic and Reactivity Comparisons of a Pair of bTAML Complexes with FeV═O and FeIV═O Units.Mechanistic insights into intramolecular ortho-amination/hydroxylation by nonheme FeIV[double bond, length as m-dash]NTs/FeIV[double bond, length as m-dash]O species: the σ vs. the π channels.Mechanistic elucidation of C-H oxidation by electron rich non-heme iron(IV)-oxo at room temperature.ortho-Hydroxylation of aromatic acids by a non-heme Fe(V)=O species: how important is the ligand design?A computational examination on the structure, spin-state energetics and spectroscopic parameters of high-valent Fe(IV)=NTs species.A cobalt-nitrosyl complex with a hindered hydrotris(pyrazolyl)borate coligand: detailed electronic structure, and reactivity towards dioxygen.An abiotic analogue of the diiron(IV)oxo "diamond core" of soluble methane monooxygenase generated by direct activation of O2 in aqueous Fe(II)/EDTA solutions: thermodynamics and electronic structure.
P2860
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P2860
Spectroscopic and quantum chemical characterization of the electronic structure and bonding in a non-heme FeIV[double bond]O complex.
description
2004 nî lūn-bûn
@nan
2004年の論文
@ja
2004年学术文章
@wuu
2004年学术文章
@zh-cn
2004年学术文章
@zh-hans
2004年学术文章
@zh-my
2004年学术文章
@zh-sg
2004年學術文章
@yue
2004年學術文章
@zh
2004年學術文章
@zh-hant
name
Spectroscopic and quantum chem ...... me FeIV[double bond]O complex.
@en
Spectroscopic and quantum chem ...... me FeIV[double bond]O complex.
@nl
type
label
Spectroscopic and quantum chem ...... me FeIV[double bond]O complex.
@en
Spectroscopic and quantum chem ...... me FeIV[double bond]O complex.
@nl
prefLabel
Spectroscopic and quantum chem ...... me FeIV[double bond]O complex.
@en
Spectroscopic and quantum chem ...... me FeIV[double bond]O complex.
@nl
P2093
P356
P1476
Spectroscopic and quantum chem ...... me FeIV[double bond]O complex.
@en
P2093
Andrea Decker
Jan-Uwe Rohde
Lawrence Que
P304
P356
10.1021/JA0498033
P407
P577
2004-05-01T00:00:00Z