4.7 Article

Does a higher metal oxidation state necessarily imply higher reactivity toward H-atom transfer? A computational study of C-H bond oxidation by high-valent iron-oxo and -nitrido complexes

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Multidisciplinary

Comparison of the Reactivity of Nonheme Iron(IV)-Oxo versus Iron(IV)-Imido Complexes: Which is the Better Oxidant?

Anil Kumar Vardhaman et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)

Article Chemistry, Multidisciplinary

Observing the Formation and the Reactivity of an Octahedral Iron(V) Nitrido Complex in Real Time

Joel Torres-Alacan et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)

Review Chemistry, Inorganic & Nuclear

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

Aidan R. McDonald et al.

COORDINATION CHEMISTRY REVIEWS (2013)

Review Chemistry, Multidisciplinary

Hydrogen-Abstraction Reactivity Patterns from A to Y: The Valence Bond Way

Wenzhen Lai et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2012)

Article Chemistry, Inorganic & Nuclear

The structure and reactivity of iron nitride complexes

Jeremy M. Smith et al.

DALTON TRANSACTIONS (2012)

Article Multidisciplinary Sciences

One-electron oxidation of an oxoiron(IV) complex to form an [O=FeV=NR]+ center

Katherine M. Van Heuvelen et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2012)

Review Multidisciplinary Sciences

The biology and chemistry of high-valent iron-oxo and iron-nitrido complexes

Johannes Hohenberger et al.

NATURE COMMUNICATIONS (2012)

Article Chemistry, Multidisciplinary

The ORCA program system

Frank Neese

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)

Review Chemistry, Multidisciplinary

Dioxygen Activation in Soluble Methane Monooxygenase

Christine E. Tinberg et al.

ACCOUNTS OF CHEMICAL RESEARCH (2011)

Review Chemistry, Multidisciplinary

Understanding Hydrogen Atom Transfer: From Bond Strengths to Marcus Theory

James M. Mayer

ACCOUNTS OF CHEMICAL RESEARCH (2011)

Review Biochemistry & Molecular Biology

The mystery of cytochrome P450 Compound I A mini-review dedicated to Klaus Ruckpaul

Christiane Jung

BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS (2011)

Review Chemistry, Multidisciplinary

Role of metal-oxo complexes in the cleavage of C-H bonds

A. S. Borovik

CHEMICAL SOCIETY REVIEWS (2011)

Article Chemistry, Physical

Perferryl Fev-Oxo Nonheme Complexes: Do They Have High-Spin or Low-Spin Ground States?

Hui Chen et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)

Article Chemistry, Multidisciplinary

On the Reactivity of Mononuclear Iron(V)oxo Complexes

Soumen Kundu et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)

Article Chemistry, Multidisciplinary

Comparative Reactivity of Ferric-Superoxo and Ferryl-Oxo Species in Heme and Non-Heme Complexes

Lung Wa Chung et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2011)

Article Chemistry, Multidisciplinary

Exchange-enhanced reactivity in bond activation by metal-oxo enzymes and synthetic reagents

Sason Shaik et al.

NATURE CHEMISTRY (2011)

Article Multidisciplinary Sciences

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

Shengfa Ye et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2011)

Article Multidisciplinary Sciences

Synthesis, Structure, and Reactivity of an Iron(V) Nitride

Jeremiah J. Scepaniak et al.

SCIENCE (2011)

Review Chemistry, Multidisciplinary

The Valence Bond Way: Reactivity Patterns of Cytochrome P450 Enzymes and Synthetic Analogs

Sason Shaik et al.

ACCOUNTS OF CHEMICAL RESEARCH (2010)

Article Chemistry, Multidisciplinary

Analysis of Reaction Channels for Alkane Hydroxylation by Nonheme Iron(IV)-Oxo Complexes

Caiyun Geng et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2010)

Article Chemistry, Multidisciplinary

The Fundamental Role of Exchange-Enhanced Reactivity in C-H Activation by S=2 Oxo Iron(IV) Complexes

Deepa Janardanan et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2010)

Review Chemistry, Multidisciplinary

Current challenges of modeling diiron enzyme active sites for dioxygen activation by biomimetic synthetic complexes

Simone Friedle et al.

CHEMICAL SOCIETY REVIEWS (2010)

Article Chemistry, Inorganic & Nuclear

Accurate Modeling of Spin-State Energetics in Spin-Crossover Systems with Modern Density Functional Theory

Shengfa Ye et al.

INORGANIC CHEMISTRY (2010)

Article Chemistry, Multidisciplinary

Formation of Ammonia from an Iron Nitrido Complex

Jeremiah J. Scepaniak et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2009)

Article Chemistry, Multidisciplinary

Olefin-Dependent Discrimination between Two Nonheme HO-Fe-V=O Tautomeric Species in Catalytic H2O2 Epoxidations

Anna Company et al.

CHEMISTRY-A EUROPEAN JOURNAL (2009)

Review Biochemistry & Molecular Biology

Quantum chemical studies of C-H activation reactions by high-valent nonheme iron centers

Shengfa Ye et al.

CURRENT OPINION IN CHEMICAL BIOLOGY (2009)

Review Biochemistry & Molecular Biology

Peroxo and oxo intermediates in mononuclear nonheme iron enzymes and related active sites

Edward I. Solomon et al.

CURRENT OPINION IN CHEMICAL BIOLOGY (2009)

Article Chemistry, Multidisciplinary

An iron nitride complex

Carola Vogel et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2008)

Article Chemistry, Multidisciplinary

Axial ligand effects on the geometric and electronic structures of nonheme Oxoiron(IV) complexes

Timothy A. Jackson et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)

Article Chemistry, Multidisciplinary

Structural and spectroscopic characterization of an electrophilic iron nitrido complex

Jeremiah J. Scepaniak et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)

Review Multidisciplinary Sciences

Biologically inspired oxidation catalysis

Lawrence Que et al.

NATURE (2008)

Article Chemistry, Multidisciplinary

Spectroscopic and quantum chemical studies on low-spin FeIV=O complexes:: Fe-O bonding and its contributions to reactivity

Andrea Decker et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)

Article Multidisciplinary Sciences

Axial ligand tuning of a nonheme iron(IV)-oxo unit for hydrogen atom abstraction

Chivukula V. Sastri et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2007)

Article Chemistry, Inorganic & Nuclear

XAS characterization of a Nitridoiron(IV) complex with a very short fe-n bond

Jan-Uwe Rohde et al.

INORGANIC CHEMISTRY (2007)

Review Chemistry, Multidisciplinary

Reactivity of high-valent iron-oxo species in enzymes and synthetic reagents: A tale of many states

Sason Shaik et al.

ACCOUNTS OF CHEMICAL RESEARCH (2007)

Article Chemistry, Inorganic & Nuclear

The role of equatorial and axial ligands in promoting the activity of non-heme oxidoiron(IV) catalysts in alkane hydroxylation

Leonardo Bernasconi et al.

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2007)

Review Chemistry, Multidisciplinary

The road to non-heme oxoferryls and beyond

Lawrence Que

ACCOUNTS OF CHEMICAL RESEARCH (2007)

Review Chemistry, Multidisciplinary

High-valent iron(IV)-oxo complexes of heme and non-heme ligands in oxygenation reactions

Wonwoo Nam

ACCOUNTS OF CHEMICAL RESEARCH (2007)

Review Chemistry, Multidisciplinary

Non-heme Fe(IV)-oxo intermediates

Carsten Krebs et al.

ACCOUNTS OF CHEMICAL RESEARCH (2007)

Article Chemistry, Multidisciplinary

Radical intermediates in monooxygenase reactions of Rieske dioxygenases

Sarmistha Chakrabarty et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2007)

Article Multidisciplinary Sciences

Chemical and spectroscopic evidence for an FeV-Oxo complex

Filipe Tiago de Oliveira et al.

SCIENCE (2007)

Article Multidisciplinary Sciences

On the feasibility of N2 fixation via a single-site FeI/FeIV cycle:: Spectroscopic studies of FeI(N2)FeI, FeIVN, and related species

Michael P. Hendrich et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2006)

Review Chemistry, Multidisciplinary

Modeling enzymatic reactions involving transition metals

Per E. M. Siegbahn et al.

ACCOUNTS OF CHEMICAL RESEARCH (2006)

Article Multidisciplinary Sciences

Spectroscopic and electronic structure studies of aromatic electrophilic attack and hydrogen-atom abstraction by non-heme iron enzymes

Michael L. Neidig et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2006)

Article Chemistry, Multidisciplinary

Two-state reactivity in alkane hydroxylation by non-heme iron-oxo complexes

Hajime Hirao et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2006)

Article Multidisciplinary Sciences

An octahedral coordination complex of iron(VI)

John F. Berry et al.

SCIENCE (2006)

Review Biochemistry & Molecular Biology

High-valent nonheme iron-oxo species in biomimetic oxidations

Xiaopeng Shan et al.

JOURNAL OF INORGANIC BIOCHEMISTRY (2006)

Review Biochemistry & Molecular Biology

High-valent iron in chemical and biological oxidations

John T. Groves

JOURNAL OF INORGANIC BIOCHEMISTRY (2006)

Article Chemistry, Multidisciplinary

A tosylimido analogue of a nonheme oxoiron(IV) complex

Eric J. Klinker et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2006)

Article Chemistry, Multidisciplinary

Axial ligand substituted nonheme FeIV=O complexes:: Observation of near-UV LMCT bands and Fe=O Raman vibrations

CV Sastri et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)

Article Chemistry, Multidisciplinary

Theoretical investigation of C-H hydroxylation by (N4Py)FeIV=O2+ :: An oxidant more powerful than p450?

D Kumar et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)

Article Chemistry, Multidisciplinary

Two faces of a biomimetic non-heme HO-Fe-v = O oxidant: Olefin epoxidation versus cis-dihydroxylation

A Bassan et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2005)

Article Chemistry, Multidisciplinary

The geometric and electronic structure of [(cyclam-acetato)Fe(N)(+)]: A genuine iron(V) species with a ground-state spin S=1/2

N Aliaga-Alcalde et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2005)

Review Chemistry, Inorganic & Nuclear

The Rebound controversy: An overview and theoretical modeling of the rebound step in C-H hydroxylation by cytochrome P450

S Shaik et al.

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY (2004)

Review Chemistry, Multidisciplinary

Mechanism of oxidation reactions catalyzed by cytochrome P450 enzymes

B Meunier et al.

CHEMICAL REVIEWS (2004)

Article Chemistry, Multidisciplinary

A tetrahedrally coordinated L3Fe-Nx platform that accommodates terminal nitride (FeIVN) and dinitrogen (FeI-N2-FeI) ligands

TA Betley et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)

Article Chemistry, Multidisciplinary

A theoretical study on the mechanism of camphor hydroxylation by compound I of cytochrome P450

T Kamachi et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)

Article Biochemistry & Molecular Biology

The 'push' effect of the thiolate ligand in cytochrome P450: a theoretical gauging

F Ogliaro et al.

JOURNAL OF INORGANIC BIOCHEMISTRY (2002)

Article Chemistry, Multidisciplinary

A density functional study of O-O bond cleavage for a biomimetic non-heme iron complex demonstrating an FeV-intermediate

A Bassan et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2002)

Article Chemistry, Physical

Efficient use of the correlation consistent basis sets in resolution of the identity MP2 calculations

F Weigend et al.

JOURNAL OF CHEMICAL PHYSICS (2002)

Article Chemistry, Inorganic & Nuclear

Resonance Raman spectra and biological significance of high-valent iron(IV,V) porphyrins

K Nakamoto

COORDINATION CHEMISTRY REVIEWS (2002)

Article Chemistry, Inorganic & Nuclear

Electronic structure and reactivity of high-valent oxo iron porphyrins

H Fujii

COORDINATION CHEMISTRY REVIEWS (2002)

Article Chemistry, Multidisciplinary

Stereospecific alkane hydroxylation by non-heme iron catalysts:: Mechanistic evidence for an FeV=O active species

K Chen et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)

Review Biochemistry & Molecular Biology

The role of presenilins in γ-secretase activity

MS Wolfe et al.

JOURNAL OF BIOLOGICAL CHEMISTRY (2001)