Oxidative addition of an alkyl halide to form a stable Cu(III) product

Investigation of the C–N Bond-Forming Step in a Photoinduced, Copper-Catalyzed Enantioconvergent N–Alkylation: Characterization and Application of a Stabilized Organic Radical as a Mechanistic Probe

(2022) Heejun Lee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanism-based ligand design for copper-catalysed enantioconvergent C(sp3)–C(sp) cross-coupling of tertiary electrophiles with alkynes

(2022) Fu-Li Wang et al.   Nature Chemistry

Bonding and the role of electrostatics in driving C–C bond formation in high valent organocopper compounds

(2022) Jason Shearer et al.   CHEMICAL COMMUNICATIONS

Well-defined organometallic Copper(III) complexes: Preparation, characterization and reactivity

(2021) He Liu et al.   COORDINATION CHEMISTRY REVIEWS

Photoinduced copper-catalysed asymmetric amidation via ligand cooperativity

(2021) Caiyou Chen et al.   NATURE

Ligand-Enabled Copper(I)-Catalyzed Asymmetric Radical C(sp3)–C Cross-Coupling Reactions

(2021) Huan Zhou et al.   ACS Catalysis

Copper‐Catalyzed Enantioselective Sonogashira Type Coupling of Alkynes with α‐Bromoamides

(2020) Xueling Mo et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

C(sp3)-CF3 Reductive Elimination from a Five-Coordinate Neutral Copper(III) Complex

(2020) Shuanshuan Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Copper‐Catalyzed Enantioconvergent Cross‐Coupling of Racemic Alkyl Bromides with Azole C(sp2)–H Bonds

(2020) Xiao-Long Su et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Photo‐Promoted Copper‐Catalyzed Enantioselective Alkylation of Azoles

(2020) Chen Li et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Mechanistic Characterization of (Xantphos)Ni(I)-Mediated Alkyl Bromide Activation: Oxidative Addition, Electron Transfer, or Halogen-Atom Abstraction

(2019) Justin B. Diccianni et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Csp3–Csp3 Bond-Forming Reductive Elimination from Well-Defined Copper(III) Complexes

(2019) Matthew Paeth et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Exploring the Role of Coinage Metalates in Trifluoromethylation: A Combined Experimental and Theoretical Study

(2019) Sara Martínez de Salinas et al.   CHEMISTRY-A EUROPEAN JOURNAL

Mechanistically Guided Predictive Models for Ligand and Initiator Effects in Copper-Catalyzed Atom Transfer Radical Polymerization (Cu-ATRP)

(2019) Cheng Fang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Myth of d8 Copper(III)

(2019) Ida M. DiMucci et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A general asymmetric copper-catalysed Sonogashira C(sp3)–C(sp) coupling

(2019) Xiao-Yang Dong et al.   Nature Chemistry

Diverse copper(iii) trifluoromethyl complexes with mono-, bi- and tridentate ligands and their versatile reactivity

(2018) Song-Lin Zhang et al.   DALTON TRANSACTIONS

Comprehensive Thermochemical Benchmark Set of Realistic Closed-Shell Metal Organic Reactions

(2018) Sebastian Dohm et al.   Journal of Chemical Theory and Computation

Organocopper(III) Compounds with Well-defined Structures Undergo Reductive Elimination to Form C-C or C-Heteroatom Bonds

(2018) Liang Liu et al.   CHINESE JOURNAL OF CHEMISTRY

Intermediates and Mechanism in Iron-Catalyzed Cross-Coupling

(2018) Jeffrey D. Sears et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Trifluoromethylation of Alkyl Radicals in Aqueous Solution

(2017) Haigen Shen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Photoinduced, Copper-Catalyzed Alkylation of Amines: A Mechanistic Study of the Cross-Coupling of Carbazole with Alkyl Bromides

(2017) Jun Myun Ahn et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Asymmetric copper-catalyzed C-N cross-couplings induced by visible light

(2016) Q. M. Kainz et al.   SCIENCE

Can Multiconfigurational Self-Consistent Field Theory and Density Functional Theory Correctly Predict the Ground State of Metal–Metal-Bonded Complexes?

(2015) Rebecca K. Carlson et al.   Journal of Chemical Theory and Computation

Improved Force-Field Parameters for QM/MM Simulations of the Energies of Adsorption for Molecules in Zeolites and a Free Rotor Correction to the Rigid Rotor Harmonic Oscillator Model for Adsorption Enthalpies

(2015) Yi-Pei Li et al.   Journal of Physical Chemistry C

Copper-Catalyzed Cross-Coupling Reaction of Allyl Boron Ester with 1°/2°/3°-Halogenated Alkanes

(2015) Guang-Zu Wang et al.   ORGANIC LETTERS

Copper catalysed Ullmann type chemistry: from mechanistic aspects to modern development

(2014) Carlo Sambiagio et al.   CHEMICAL SOCIETY REVIEWS

The role of organometallic copper(iii) complexes in homogeneous catalysis

(2013) Alicia Casitas et al.   Chemical Science

Supramolecular Binding Thermodynamics by Dispersion-Corrected Density Functional Theory

(2012) Stefan Grimme   CHEMISTRY-A EUROPEAN JOURNAL

Complexes with a Single Metal–Metal Bond as a Sensitive Probe of Quality of Exchange-Correlation Functionals

(2012) Serge I. Gorelsky   Journal of Chemical Theory and Computation

Trifluoromethylation of α-Haloketones

(2012) Petr Novák et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

High-valent organometallic copper and palladium in catalysis

(2012) Amanda J. Hickman et al.   NATURE

Copper-Catalyzed Cross-Coupling Reaction of Organoboron Compounds with Primary Alkyl Halides and Pseudohalides

(2011) Chu-Ting Yang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

A Broadly Applicable Copper Reagent for Trifluoromethylations and Perfluoroalkylations of Aryl Iodides and Bromides

(2011) Hiroyuki Morimoto et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Mechanisms of Nucleophilic Organocopper(I) Reactions

(2011) Naohiko Yoshikai et al.   CHEMICAL REVIEWS

Effect of the damping function in dispersion corrected density functional theory

(2011) Stefan Grimme et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Direct Cupration of Fluoroform

(2011) Alessandro Zanardi et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Copper(I) Phenoxide Complexes in the Etherification of Aryl Halides

(2010) Jesse W. Tye et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

Minimally augmented Karlsruhe basis sets

(2010) Jingjing Zheng et al.   THEORETICAL CHEMISTRY ACCOUNTS

Catalytic CC, CN, and CO Ullmann-Type Coupling Reactions

(2009) Florian Monnier et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Neutral organocopper(iii) complexes

(2008) Erika R. Bartholomew et al.   CHEMICAL COMMUNICATIONS

Copper-Mediated Coupling Reactions and Their Applications in Natural Products and Designed Biomolecules Synthesis

(2008) Gwilherm Evano et al.   CHEMICAL REVIEWS

Active Trifluoromethylating Agents from Well-Defined Copper(I)−CF3Complexes

(2008) Galyna G. Dubinina et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ab Initio Evaluation of the Thermodynamic and Electrochemical Properties of Alkyl Halides and Radicals and Their Mechanistic Implications for Atom Transfer Radical Polymerization

(2008) Ching Yeh Lin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Copper Complexes of Anionic Nitrogen Ligands in the Amidation and Imidation of Aryl Halides

(2008) Jesse W. Tye et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY