4.6 Article

Rational design of Fe catalysts for olefin aziridination through DFT-based mechanistic analysis

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

Redox Self-Adaptation of a Nitrene Transfer Catalyst to the Substrate Needs

Eric Goure et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2017)

Review Chemistry, Multidisciplinary

Spinning around in Transition-Metal Chemistry

Marcel Swart et al.

ACCOUNTS OF CHEMICAL RESEARCH (2016)

Article Chemistry, Multidisciplinary

Amine-bis(phenolate) Iron(III)-Catalyzed Formal Hydroamination of Olefins

Kailong Zhu et al.

CHEMISTRY-AN ASIAN JOURNAL (2016)

Article Chemistry, Organic

A Metal-Free Protocol for Aminofunctionalization of Olefins Using TsNBr2

Kamal Krishna Rajbongshi et al.

JOURNAL OF ORGANIC CHEMISTRY (2016)

Article Chemistry, Physical

Substrate Sulfoxidation by an Iron(IV)-Oxo Complex: Benchmarking Computationally Calculated Barrier Heights to Experiment

Fabian G. Cantu Reinhard et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2016)

Article Chemistry, Multidisciplinary

Characterization of Iron-In-Imido Species Relevant for N-Group Transfer Chemistry

Diana A. Iovan et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2016)

Article Chemistry, Multidisciplinary

Chemoselective nitro reduction and hydroamination using a single iron catalyst

Kailong Zhu et al.

CHEMICAL SCIENCE (2016)

Review Biophysics

The nature of chemical innovation: new enzymes by evolution

Frances H. Arnold

QUARTERLY REVIEWS OF BIOPHYSICS (2015)

Article Chemistry, Multidisciplinary

A Diiron(III,IV) Imido Species Very Active in Nitrene-Transfer Reactions

Eric Goure et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2014)

Article Chemistry, Multidisciplinary

Computational modelling of oxygenation processes in enzymes and biomimetic model complexes

Sam P. de Visser et al.

CHEMICAL COMMUNICATIONS (2014)

Article Chemistry, Multidisciplinary

Long-Range Electron Transfer Triggers Mechanistic Differences between Iron(IV)-Oxo and Iron(IV)-Imido Oxidants

Suresh Kumar et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)

Article Chemistry, Multidisciplinary

Iron-mediated intermolecular N-group transfer chemistry with olefinic substrates

Elisabeth T. Hennessy et al.

CHEMICAL SCIENCE (2014)

Review Chemistry, Multidisciplinary

Geometric and Electronic Structure Contributions to Function in Non-heme Iron Enzymes

Edward I. Solomon et al.

ACCOUNTS OF CHEMICAL RESEARCH (2013)

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

Enantioselective Nitrene Transfer to Sulfides Catalyzed by a Chiral Iron Complex

Jun Wang et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2013)

Article Chemistry, Inorganic & Nuclear

Generation of a High-Valent Iron Imido Corrolazine Complex and NR Group Transfer Reactivity

Pannee Leeladee et al.

INORGANIC CHEMISTRY (2013)

Article Chemistry, Physical

On Predicting Mossbauer Parameters of Iron-Containing Molecules with Density-Functional Theory

Matyas Papai et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)

Review Chemistry, Multidisciplinary

Metal-Catalyzed Nitrogen-Atom Transfer Methods for the Oxidation of Aliphatic C-H Bonds

Jennifer L. Roizen et al.

ACCOUNTS OF CHEMICAL RESEARCH (2012)

Article Chemistry, Multidisciplinary

Iron-Catalyzed Intramolecular Allylic C-H Amination

Shauna M. Paradine et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2012)

Article Polymer Science

Controlled Radical Polymerization Mediated by Amine-Bis(phenolate) Iron(III) Complexes

Laura E. N. Allan et al.

MACROMOLECULAR RAPID COMMUNICATIONS (2012)

Article Chemistry, Inorganic & Nuclear

Half-Sandwich Scorpionates as Nitrene Transfer Catalysts

Shengwen Liang et al.

ORGANOMETALLICS (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)

Article Chemistry, Medicinal

The Medicinal Chemist's Toolbox: An Analysis of Reactions Used in the Pursuit of Drug Candidates

Stephen D. Roughley et al.

JOURNAL OF MEDICINAL CHEMISTRY (2011)

Article Chemistry, Inorganic & Nuclear

Structure and C-C cross-coupling reactivity of iron(III) complexes of halogenated amine-bis(phenolate) ligands

Amy M. Reckling et al.

JOURNAL OF ORGANOMETALLIC CHEMISTRY (2011)

Article Chemistry, Multidisciplinary

Catalytic C-H Bond Amination from High-Spin Iron Imido Complexes

Evan R. King et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (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 Chemistry, Physical

Ab initio transition state theory for polar reactions in solution

Jeremy N. Harvey

FARADAY DISCUSSIONS (2010)

Article Chemistry, Physical

Prediction of 57Fe Mossbauer Parameters by Density Functional Theory: A Benchmark Study

Arteum D. Bochevarov et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)

Article Chemistry, Multidisciplinary

What Factors Influence the Rate Constant of Substrate Epoxidation by Compound I of Cytochrome P450 and Analogous Iron(IV)-Oxo Oxidants?

Devesh Kumar et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)

Article Chemistry, Applied

Iron-catalyzed aziridination reactions

Masafumi Nakanishi et al.

ADVANCED SYNTHESIS & CATALYSIS (2008)

Article Chemistry, Multidisciplinary

Multiple aromatic amination mediated by a diiron complex

Frederic Avenier et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2008)

Article Chemistry, Multidisciplinary

Iron-catalysed aziridination reactions promoted by an ionic liquid

Agathe C. Mayer et al.

CHEMICAL COMMUNICATIONS (2008)

Article Chemistry, Physical

DFT approach to the calculation of Mosssbauer isomer shifts

Reshmi Kurian et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2008)

Review Multidisciplinary Sciences

Catalytic C-H functionalization by metal carbenoid and nitrenoid insertion

Huw M. L. Davies et al.

NATURE (2008)

Review Biochemistry & Molecular Biology

Versatility of biological non-heme Fe(II) centers in oxygen activation reactions

Elena G. Kovaleva et al.

NATURE CHEMICAL BIOLOGY (2008)

Article Chemistry, Multidisciplinary

SUPERFLIP -: a computer program for the solution of crystal structures by charge flipping in arbitrary dimensions

Lukas Palatinus et al.

JOURNAL OF APPLIED CRYSTALLOGRAPHY (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, Multidisciplinary

Non-heme iron(II) complexes are efficient olefin aziridination catalysts

Katie L. Klotz et al.

CHEMICAL COMMUNICATIONS (2007)

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

Coordination-number dependence of reactivity in an imidoiron(III) complex

Nathan A. Eckert et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2006)

Review Chemistry, Multidisciplinary

Theoretical perspective on the structure and mechanism of cytochrome P450 enzymes

S Shaik et al.

CHEMICAL REVIEWS (2005)

Article Chemistry, Multidisciplinary

Structures of nonheme oxoiron(IV) complexes from x-ray crystallography, NMR spectroscopy, and DFT calculations

EJ Klinker et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2005)

Review Chemistry, Multidisciplinary

Iron-catalyzed reactions in organic synthesis

C Bolm et al.

CHEMICAL REVIEWS (2004)

Article Chemistry, Multidisciplinary

Catalytic aziridination of olefins and amidation of thioanisole by a non-heme iron complex

F Avenier et al.

CHEMICAL COMMUNICATIONS (2004)

Review Chemistry, Multidisciplinary

Biomimetic aryl hydroxylation derived from alkyl hydroperoxide at a nonheme iron center.: Evidence for an FeIV=O oxidant

MP Jensen et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)

Review Chemistry, Multidisciplinary

Chemistry with ADF

G te Velde et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2001)

Article Chemistry, Multidisciplinary

Mechanistic studies of copper-catalyzed alkene aziridination

P Brandt et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)