Modeling the cis-Oxo-Labile Binding Site Motif of Non-Heme Iron Oxygenases: Water Exchange and Oxidation Reactivity of a Non-Heme Iron(IV)-Oxo Compound Bearing a Tripodal Tetradentate Ligand

Electron-Transfer Properties of an Efficient Nonheme Iron Oxidation Catalyst with a Tetradentate Bispidine Ligand

(2010) Peter Comba et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

C−H Bond Activations by Metal Oxo Compounds

(2010) Ahmet Gunay et al.   CHEMICAL REVIEWS

Oxidation of Glutathione by [FeIV(O)(N4Py)]2+: Characterization of an [FeIII(SG)(N4Py)]2+Intermediate

(2010) Ashley A. Campanali et al.   INORGANIC CHEMISTRY

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Redox Potential and C−H Bond Cleaving Properties of a Nonheme FeIV═O Complex in Aqueous Solution

(2010) Dong Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Crystal Structure of a High-Spin Oxoiron(IV) Complex and Characterization of Its Self-Decay Pathway

(2010) Jason England et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Formation, Structure, and EPR Detection of a High Spin FeIV—Oxo Species Derived from Either an FeIII—Oxo or FeIII—OH Complex

(2010) David C. Lacy et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Million-fold activation of the [Fe2(µ-O)2] diamond core for C–H bond cleavage

(2010) Genqiang Xue et al.   Nature Chemistry

Reactive Intermediates in Oxygenation Reactions with Mononuclear Nonheme Iron Catalysts

(2009) Jihae Yoon et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A Synthetic High-Spin Oxoiron(IV) Complex: Generation, Spectroscopic Characterization, and Reactivity

(2009) Jason England et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A Two-State Reactivity Model Explains Unusual Kinetic Isotope Effect Patterns in CH Bond Cleavage by Nonheme Oxoiron(IV) Complexes

(2009) Eric J. Klinker et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Substrate-Triggered Formation and Remarkable Stability of the C−H Bond-Cleaving Chloroferryl Intermediate in the Aliphatic Halogenase, SyrB2

(2009) Megan L. Matthews et al.   BIOCHEMISTRY

Direct Comparison of the Reactivity of Model Complexes for Compounds 0, I, and II in Oxygenation, Hydrogen-Abstraction, and Hydride-Transfer Processes

(2009) Christoph Fertinger et al.   CHEMISTRY-A EUROPEAN JOURNAL

Hydrogen-Atom Abstraction Reactions by Manganese(V)- and Manganese(IV)-Oxo Porphyrin Complexes in Aqueous Solution

(2009) Chellaiah Arunkumar et al.   CHEMISTRY-A EUROPEAN JOURNAL

Mössbauer and DFT Study of the Ferromagnetically Coupled Diiron(IV) Precursor to a Complex with an FeIV2O2Diamond Core

(2009) Marlène Martinho et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Trends in Substrate Hydroxylation Reactions by Heme and Nonheme Iron(IV)-Oxo Oxidants Give Correlations between Intrinsic Properties of the Oxidant with Barrier Height

(2009) Sam P. de Visser   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A diiron(iv) complex that cleaves strong C–H and O–H bonds

(2009) Dong Wang et al.   Nature Chemistry

An Inverted and More Oxidizing Isomer of [FeIV(O)(tmc)(NCCH3)]2+

(2008) Kallol Ray et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Contrastingcis andtrans Effects on the Reactivity of Nonheme Oxoiron(IV) Complexes

(2008) Yuming Zhou et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Proton- and Reductant-Assisted Dioxygen Activation by a Nonheme Iron(II) Complex to Form an Oxoiron(IV) Intermediate

(2008) Aurore Thibon et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Hydrogen Atom Abstraction and Hydride Transfer Reactions by Iron(IV)-Oxo Porphyrins

(2008) Yu Jin Jeong et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A Novel Platform for Modeling Oxidative Catalysis in Non‐Heme Iron Oxygenases with Unprecedented Efficiency

(2008) Anna Company et al.   CHEMISTRY-A EUROPEAN JOURNAL

Structural Model Studies for the Peroxo Intermediate P and the Reaction Pathway from P → Q of Methane Monooxygenase Using Broken-Symmetry Density Functional Calculations

(2008) Wen-Ge Han et al.   INORGANIC CHEMISTRY

Tunneling in C−H Oxidation Reactions by an Oxoiron(IV) Porphyrin Radical Cation: Direct Measurements of Very Large H/D Kinetic Isotope Effects

(2008) Zhengzheng Pan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Sequential Electron-Transfer and Proton-Transfer Pathways in Hydride-Transfer Reactions from Dihydronicotinamide Adenine Dinucleotide Analogues to Non-heme Oxoiron(IV) Complexes andp-Chloranil. Detection of Radical Cations of NADH Analogues in Acid-Promoted Hydride-Transfer Reactions

(2008) Shunichi Fukuzumi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Epoxidation and 1,2-Dihydroxylation of Alkenes by a Nonheme Iron Model System − DFT Supports the Mechanism Proposed by Experiment

(2007) Peter Comba et al.   INORGANIC CHEMISTRY

Structural model studies for the high-valent intermediate Q of methane monooxygenase from broken-symmetry density functional calculations

(2007) Wen-Ge Han et al.   INORGANICA CHIMICA ACTA