Solvent coordination to palladium can invert the selectivity of oxidative addition

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

(2021) Vignesh Palani et al.   CHEMICAL REVIEWS

Mechanistic Aspects of the Palladium‐Catalyzed Suzuki‐Miyaura Cross‐Coupling Reaction

(2021) Massimo C. D'Alterio et al.   CHEMISTRY-A EUROPEAN JOURNAL

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

Coordinating ability of anions, solvents, amino acids, and gases towards alkaline and alkaline‐earth elements, transition metals, and lanthanides.

(2020) Santiago Alvarez   CHEMISTRY-A EUROPEAN JOURNAL

Oriented External Electric Fields and Ionic Additives Elicit Catalysis and Mechanistic Crossover in Oxidative Addition Reactions

(2020) Jyothish Joy et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Recent advances in theoretical studies on ligand-controlled selectivity of nickel- and palladium-catalyzed cross-coupling reactions

(2020) Mengna Cao et al.   CHINESE CHEMICAL LETTERS

Chemodivergence Between Electrophiles in Cross‐Coupling Reactions

(2020) Emily K Reeves et al.   CHEMISTRY-A EUROPEAN JOURNAL

Solvent Effects on the Selectivity of Palladium‐Catalyzed Suzuki‐Miyaura Couplings

(2019) Emily K. Reeves et al.   ISRAEL JOURNAL OF CHEMISTRY

The emergence of Pd-mediated reversible oxidative addition in cross coupling, carbohalogenation and carbonylation reactions

(2019) David J. Jones et al.   Nature Catalysis

Attraction or repulsion? Theoretical assessment of bulky alkyl groups by employing dispersion-corrected DFT

(2018) Mo Xie et al.   RSC Advances

Ligation state of nickel during C O bond activation with monodentate phosphines

(2018) Leidy V. Hooker et al.   TETRAHEDRON

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

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

Cross-Coupling Catalysis by an Anionic Palladium Complex

(2017) Felix Schroeter et al.   ACS Catalysis

MN15-L: A New Local Exchange-Correlation Functional for Kohn–Sham Density Functional Theory with Broad Accuracy for Atoms, Molecules, and Solids

(2016) Haoyu S. Yu et al.   Journal of Chemical Theory and Computation

Accessing Both Retention and Inversion Pathways in Stereospecific, Nickel-Catalyzed Miyaura Borylations of Allylic Pivalates

(2016) Qi Zhou et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Parameterization of phosphine ligands reveals mechanistic pathways and predicts reaction outcomes

(2016) Zachary L. Niemeyer et al.   Nature Chemistry

Cross-Couplings Using Aryl Ethers via C–O Bond Activation Enabled by Nickel Catalysts

(2015) Mamoru Tobisu et al.   ACCOUNTS OF CHEMICAL RESEARCH

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

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

Tutorial on Oxidative Addition

(2015) Jay A. Labinger   ORGANOMETALLICS

Experiment and computation: a combined approach to study the reactivity of palladium complexes in oxidation states 0 toiv

(2014) Karl J. Bonney et al.   CHEMICAL SOCIETY REVIEWS

Computed ligand effects on the oxidative addition of phenyl halides to phosphine supported palladium(0) catalysts

(2014) Claire L. McMullin et al.   DALTON TRANSACTIONS

Remote Ester Groups Switch Selectivity: Diastereodivergent Synthesis of Tetracyclic Spiroindolines

(2014) Jun Zhu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dispersion Makes the Difference: Bisligated Transition States Found for the Oxidative Addition of Pd(PtBu3)2 to Ar-OSO2R and Dispersion-Controlled Chemoselectivity in Reactions with Pd[P(iPr)(tBu2)]2

(2014) Eirik Lyngvi et al.   ORGANOMETALLICS

Computational Perspective on Pd-Catalyzed C–C Cross-Coupling Reaction Mechanisms

(2013) Max García-Melchor et al.   ACCOUNTS OF CHEMICAL RESEARCH

Catalytic Selective Synthesis

(2012) Jessada Mahatthananchai et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

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

tBu or not tBu?

(2012) Sten O. Nilsson Lill et al.   CHEMISTRY-A EUROPEAN JOURNAL

Characterization of DMSO Coordination to Palladium(II) in Solution and Insights into the Aerobic Oxidation Catalyst, Pd(DMSO)2(TFA)2

(2012) Tianning Diao et al.   INORGANIC CHEMISTRY

Pd2(dba)3 as a Precursor of Soluble Metal Complexes and Nanoparticles: Determination of Palladium Active Species for Catalysis and Synthesis

(2012) Sergey S. Zalesskiy et al.   ORGANOMETALLICS

Orthogonal Selectivities under Pd(0) Catalysis with Solvent Polarity: An Interplay of Computational and Experimental Studies

(2012) Franziska Schoenebeck et al.   SYNLETT

Dispersion and Back-Donation Gives Tetracoordinate [Pd(PPh3)4]

(2011) Mårten S. G. Ahlquist et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Solvent Effect on Palladium-Catalyzed Cross-Coupling Reactions and Implications on the Active Catalytic Species

(2011) Fabien Proutiere et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

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

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

Theoretical aspects of palladium-catalysed carbon–carbon cross-coupling reactions

(2009) Liqin Xue et al.   CHEMICAL SOCIETY REVIEWS

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

Ligandless, Anionic, Arylpalladium Halide Intermediates in the Heck Reaction

(2009) Brad P. Carrow et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2009) D. A. Watson et al.   SCIENCE

Relevance of cis- and trans-dichloride Ru intermediates in Grubbs-II olefin metathesis catalysis (H2IMesCl2RuCHR)

(2008) Diego Benitez et al.   CHEMICAL COMMUNICATIONS

Autocatalytic Oxidative Addition of PhBr to Pd(PtBu3)2via Pd(PtBu3)2(H)(Br)

(2008) Fabiola Barrios-Landeros et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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