Oxidation of methane by an N-bridged high-valent diiron–oxo species: electronic structure implications on the reactivity

Cytochrome P450 Catalyzed Oxidative Hydroxylation of Achiral Organic Compounds with Simultaneous Creation of Two Chirality Centers in a Single CH Activation Step

(2014) Gheorghe-Doru Roiban et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Influence of Ligand Architecture on Oxidation Reactions by High-Valent Nonheme Manganese Oxo Complexes Using Water as a Source of Oxygen

(2014) Prasenjit Barman et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

X-ray Absorption and Emission Spectroscopies of X-Bridged Diiron Phthalocyanine Complexes (FePc)2X (X = C, N, O) Combined with DFT Study of (FePc)2X and Their High-Valent Diiron Oxo Complexes

(2014) Cedric Colomban et al.   INORGANIC CHEMISTRY

A DFT Study of the cis-Dihydroxylation of Nitroaromatic Compounds Catalyzed by Nitrobenzene Dioxygenase

(2014) Anna Pabis et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Redox Properties of Iron Complexes with Pentadentate Bispidine Ligands

(2013) Peter Comba et al.   AUSTRALIAN JOURNAL OF CHEMISTRY

Catalytic oxidation of alkanes by iron bispidine complexes and dioxygen: oxygen activation versus autoxidation

(2013) Peter Comba et al.   CHEMICAL COMMUNICATIONS

Phthalocyanine Metal Complexes in Catalysis

(2013) Alexander B. Sorokin   CHEMICAL REVIEWS

Reactivity comparison of high-valent iron(iv)-oxo complexes bearing N-tetramethylated cyclam ligands with different ring size

(2013) Seungwoo Hong et al.   DALTON TRANSACTIONS

Theoretical studies on concerted versus two steps hydrogen atom transfer reaction by non-heme MnIV/IIIO complexes: how important is the oxo ligand basicity in the C–H activation step?

(2013) Madhavan Jaccob et al.   DALTON TRANSACTIONS

Theoretical Perspectives on Redox “Non-Innocent” OxazolidineN-Oxide Iron Nitroxide Complexes

(2013) Subrata Tewary et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Tuning of the Properties of Transition-Metal Bispidine Complexes by Variation of the Basicity of the Aromatic Donor Groups

(2013) Peter Comba et al.   INORGANIC CHEMISTRY

Mechanistic Insights on the ortho-Hydroxylation of Aromatic Compounds by Non-heme Iron Complex: A Computational Case Study on the Comparative Oxidative Ability of Ferric-Hydroperoxo and High-Valent FeIV═O and FeV═O Intermediates

(2013) Azaj Ansari et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

What Controls the Magnetic Interaction in bis-μ-Alkoxo MnIII Dimers? A Combined Experimental and Theoretical Exploration

(2012) Nelly Berg et al.   CHEMISTRY-A EUROPEAN JOURNAL

High-valent nonheme iron-oxo complexes: Synthesis, structure, and spectroscopy

(2012) Aidan R. McDonald et al.   COORDINATION CHEMISTRY REVIEWS

DFT study of the mechanism for methane hydroxylation by soluble methane monooxygenase (sMMO): effects of oxidation state, spin state, and coordination number

(2012) Shu-Ping Huang et al.   DALTON TRANSACTIONS

Effect of the Axial Ligand on the Reactivity of the Oxoiron(IV) Porphyrin π-Cation Radical Complex: Higher Stabilization of the Product State Relative to the Reactant State

(2012) Akihiro Takahashi et al.   INORGANIC CHEMISTRY

Evidence for an Alternative to the Oxygen Rebound Mechanism in C–H Bond Activation by Non-Heme FeIVO Complexes

(2012) Kyung-Bin Cho et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

An N-bridged high-valent diiron–oxo species on a porphyrin platform that can oxidize methane

(2012) Evgeny V. Kudrik et al.   Nature Chemistry

On the controversy of metal ion composition on amine oxygenase (AurF): a computational investigation

(2012) Prabha Jayapal et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Dioxygen Activation in Soluble Methane Monooxygenase

(2011) Christine E. Tinberg et al.   ACCOUNTS OF CHEMICAL RESEARCH

A combined experimental and computational study on the sulfoxidation by high-valent iron bispidine complexes

(2011) Madhavan Jaccob et al.   DALTON TRANSACTIONS

Density functional studies on dinuclear {NiIIGdIII} and trinuclear {NiIIGdIIINiII} complexes: magnetic exchange and magneto-structural maps

(2011) Saurabh Kumar Singh et al.   DALTON TRANSACTIONS

Oxidation versus Dioxygenation of Catechol: The Iron-Bispidine System

(2011) Peter Comba et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Optimization of the Efficiency of Oxidation Catalysts Based on Iron Bispidine Complexes

(2011) Peter Comba et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Redox non-innocence of a nitrido bridge in a methane-activating dimer of iron phthalocyanine

(2011) Radu Silaghi-Dumitrescu et al.   NEW JOURNAL OF CHEMISTRY

Nonheme oxo-iron(IV) intermediates form an oxyl radical upon approaching the C-H bond activation transition state

(2011) S. Ye et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Oxidation of methane and ethylene in water at ambient conditions

(2010) A.B. Sorokin et al.   CATALYSIS TODAY

High-valent diiron species generated from N-bridged diiron phthalocyanine and H2O2

(2010) Pavel Afanasiev et al.   DALTON TRANSACTIONS

Crystal structure of a metal ion-bound oxoiron(IV) complex and implications for biological electron transfer

(2010) Shunichi Fukuzumi et al.   Nature Chemistry

Revisiting the nitrosyl complex of myoglobin by high-field pulse EPR spectroscopy and quantum mechanical calculations

(2010) Marina Radoul et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Theoretical studies on the electronic structure of the synthetic complex of soluble methanemonooxygenase intermediate Q

(2010) Toru Saito et al.   SUPRAMOLECULAR CHEMISTRY

Enhanced Reactivities of Iron(IV)-Oxo Porphyrin π-Cation Radicals in Oxygenation Reactions by Electron-Donating Axial Ligands

(2009) Yaeun Kang et al.   CHEMISTRY-A EUROPEAN JOURNAL

Preparation and characterization of μ-nitrido diiron phthalocyanines with electron-withdrawing substituents: application for catalytic aromatic oxidation

(2009) Ümit İşci et al.   DALTON TRANSACTIONS

Catalytic Reactivity of aMeso-N-Substituted Corrole and Evidence for a High-Valent Iron−Oxo Species

(2009) Amanda J. McGown et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Highly Reactive P450 Model Compound I

(2009) Seth R. Bell et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Molybdenum cofactors, enzymes and pathways

(2009) Günter Schwarz et al.   NATURE

Bio-inspired oxidation of methane in water catalyzed by N-bridged diiron phthalocyanine complex

(2008) Alexander B. Sorokin et al.   CHEMICAL COMMUNICATIONS

Calibration of Modern Density Functional Theory Methods for the Prediction of57Fe Mössbauer Isomer Shifts: Meta-GGA and Double-Hybrid Functionals

(2008) Michael Römelt et al.   INORGANIC CHEMISTRY

Oxygen activation by cytochrome P450 monooxygenase

(2008) Djemel Hamdane et al.   PHOTOSYNTHESIS RESEARCH

A catalytic di-heme bis-Fe(IV) intermediate, alternative to an Fe(IV)=O porphyrin radical

(2008) X. Li et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA