Different Oxidative Addition Mechanisms for 12- and 14-Electron Palladium(0) Explain Ligand-Controlled Divergent Site Selectivity

A Comprehensive Discovery Platform for Organophosphorus Ligands for Catalysis

(2022) Tobias Gensch et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Isotope Effects Reveal the Catalytic Mechanism of the Archetypical Suzuki-Miyaura Reaction

(2022) Chetan Joshi et al.   ACS Catalysis

Unconventional Site Selectivity in Palladium-Catalyzed Cross-Couplings of Dichloroheteroarenes under Ligand-Controlled and Ligand-Free Systems

(2022) Jacob P. Norman et al.   JOURNAL OF ORGANIC CHEMISTRY

Site-Selective Cross-Coupling of Polyhalogenated Arenes and Heteroarenes with Identical Halogen Groups

(2021) Vignesh Palani et al.   CHEMICAL REVIEWS

A Dichotomy in Cross-Coupling Site Selectivity in a Dihalogenated Heteroarene: Influence of Mononuclear Pd, Pd Clusters, and Pd Nanoparticles—the Case for Exploiting Pd Catalyst Speciation

(2021) Neil W. J. Scott et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Understanding the Binding Properties of N‐heterocyclic Carbenes through BDE Matrix App

(2021) Lucía Morán‐González et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Bridging the Gap from Mononuclear PdII Precatalysts to Pd Nanoparticles: Identification of Intermediate Linear [Pd3(XPh3)4]2+ Clusters as Catalytic Species for Suzuki–Miyaura Couplings (X = P, As)

(2021) Kate M. Appleby et al.   ORGANOMETALLICS

Univariate classification of phosphine ligation state and reactivity in cross-coupling catalysis

(2021) Samuel H. Newman-Stonebraker et al.   SCIENCE

Solvent coordination to palladium can invert the selectivity of oxidative addition

(2021) Emily K. Elias et al.   Chemical Science

Palladium-Catalyzed C-4 Selective Coupling of 2,4-Dichloropyridines and Synthesis of Pyridine-Based Dyes for Live-Cell Imaging

(2020) Min Yang et al.   JOURNAL OF ORGANIC CHEMISTRY

Differences in the Performance of Allyl Based Palladium Precatalysts for Suzuki‐Miyaura Reactions

(2020) Matthew R. Espinosa et al.   ADVANCED SYNTHESIS & CATALYSIS

Small Phosphine Ligands Enable Selective Oxidative Addition of Ar–O over Ar–Cl Bonds at Nickel(0)

(2020) Emily D. Entz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The Necessary Nitrogen Atom: A Versatile High-Impact Design Element for Multiparameter Optimization

(2017) Lewis D. Pennington et al.   JOURNAL OF MEDICINAL CHEMISTRY

Site-selective Suzuki–Miyaura coupling of heteroaryl halides – understanding the trends for pharmaceutically important classes

(2017) Joshua Almond-Thynne et al.   Chemical Science

Mechanistic Studies on the Palladium-Catalyzed Direct C-5 Arylation of Imidazoles: The Fundamental Role of the Azole as a Ligand for Palladium

(2016) Luca Alessandro Perego et al.   ADVANCED SYNTHESIS & CATALYSIS

Oxidative Addition of Haloheteroarenes to Palladium(0): Concerted versus SNAr-Type Mechanism

(2015) Bert U. W. Maes et al.   CHEMISTRY-A EUROPEAN JOURNAL

Efficient 11C-Carbonylation of Isolated Aryl Palladium Complexes for PET: Application to Challenging Radiopharmaceutical Synthesis

(2015) Thomas L. Andersen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

In-Depth Assessment of the Palladium-Catalyzed Fluorination of Five-Membered Heteroaryl Bromides

(2015) Phillip J. Milner et al.   ORGANOMETALLICS

The divergent effects of strong NHC donation in catalysis

(2015) Justin A. M. Lummiss et al.   Chemical Science

What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?

(2015) Sai V. C. Vummaleti et al.   Chemical Science

Design of a Versatile and Improved Precatalyst Scaffold for Palladium-Catalyzed Cross-Coupling: (η3-1-tBu-indenyl)2(μ-Cl)2Pd2

(2015) Patrick R. Melvin et al.   ACS Catalysis

An overview of N-heterocyclic carbenes

(2014) Matthew N. Hopkinson et al.   NATURE

Catalyst-Controlled Site-Selectivity Switching in Pd-Catalyzed Cross-Coupling of Dihaloarenes

(2014) Kei Manabe et al.   Catalysts

31P NMR Chemical Shifts of Carbene-Phosphinidene Adducts as an Indicator of the π-Accepting Properties of Carbenes

(2013) Olivier Back et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Ligand-Dependent Site-Selective Suzuki Cross-Coupling of 3,5-Dichloropyridazines

(2013) Xing Dai et al.   JOURNAL OF ORGANIC CHEMISTRY

On the Mechanism of the Palladium-Catalyzed β-Arylation of Ester Enolates

(2012) Paolo Larini et al.   CHEMISTRY-A EUROPEAN JOURNAL

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

(2012) Marcus D Hanwell et al.   Journal of Cheminformatics

Use of Solution-Phase Vibrational Frequencies in Continuum Models for the Free Energy of Solvation

(2011) Raphael F. Ribeiro et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Percent buried volume for phosphine and N-heterocyclic carbene ligands: steric properties in organometallic chemistry

(2010) Hervé Clavier et al.   CHEMICAL COMMUNICATIONS

Accurate modelling of Pd(0) + PhX oxidative addition kinetics

(2010) Claire L. McMullin et al.   DALTON TRANSACTIONS

Ligand-Controlled Regioselectivity in Palladium-Catalyzed Cross Coupling Reactions

(2010) Franziska Schoenebeck et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Palladium-Catalyzed Hydroxylation of Aryl Halides under Ambient Conditions

(2009) Alexey G. Sergeev et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Effect of Ligand Steric Properties and Halide Identity on the Mechanism for Oxidative Addition of Haloarenes to Trialkylphosphine Pd(0) Complexes

(2009) Fabiola Barrios-Landeros et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Theoretical Bond Dissociation Energies of Halo-Heterocycles: Trends and Relationships to Regioselectivity in Palladium-Catalyzed Cross-Coupling Reactions

(2009) Yeimy Garcia et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Kinetics Study of the Oxidative Addition of Bromobenzene to Pd(PCy3)2(Cy = cyclohexyl) in a Nonpolar Medium: The Influence on Rates of Added PCy3and Bromide Ion

(2009) Emily A. Mitchell et al.   ORGANOMETALLICS

Formation of ArF from LPdAr(F): Catalytic Conversion of Aryl Triflates to Aryl Fluorides

(2009) D. A. Watson et al.   SCIENCE

A Highly Active Catalyst for Pd-Catalyzed Amination Reactions: Cross-Coupling Reactions Using Aryl Mesylates and the Highly Selective Monoarylation of Primary Amines Using Aryl Chlorides

(2008) Brett P. Fors et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY