Computational Study of the Palladium-Catalyzed Carbonylative Synthesis of Aromatic Acid Chlorides: The Synergistic Effect of Pt Bu3 and CO on Reductive Elimination

Palladium(0)-Catalyzed Iminohalogenation of Alkenes: Synthesis of 2-Halomethyl Dihydropyrroles and Mechanistic Insights into the Alkyl Halide Bond Formation

(2015) Chen Chen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Concise synthesis of cyclic carbonyl compounds from haloarenes using phenyl formate as the carbonyl source

(2015) Hideyuki Konishi et al.   CHEMICAL COMMUNICATIONS

Computational Studies of Synthetically Relevant Homogeneous Organometallic Catalysis Involving Ni, Pd, Ir, and Rh: An Overview of Commonly Employed DFT Methods and Mechanistic Insights

(2015) Theresa Sperger et al.   CHEMICAL REVIEWS

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

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

Acid Chloride Synthesis by the Palladium-Catalyzed Chlorocarbonylation of Aryl Bromides

(2015) Jeffrey S. Quesnel et al.   CHEMISTRY-A EUROPEAN JOURNAL

Palladium-Catalyzed Carbonylation of (Hetero)Aryl, Alkenyl and Allyl Halides by Means of N-Hydroxysuccinimidyl Formate as CO Surrogate

(2015) Anaïs Barré et al.   JOURNAL OF ORGANIC CHEMISTRY

Oxalyl Chloride as a Practical Carbon Monoxide Source for Carbonylation Reactions

(2015) Steffen V. F. Hansen et al.   ORGANIC LETTERS

Chloroform as a Carbon Monoxide Precursor: In or Ex Situ Generation of CO for Pd-Catalyzed Aminocarbonylations

(2015) Samuel N. Gockel et al.   ORGANIC LETTERS

Reactions of the 21st Century: Two Decades of Innovative Catalyst Design for Palladium-Catalyzed Cross-Couplings

(2015) Peter G. Gildner et al.   ORGANOMETALLICS

Combining Pd(π-allyl)Cp and PPh3 as a unique catalyst for efficient synthesis of alkyliodo indoles via C(sp3)–I reductive elimination

(2015) Wei Hao et al.   Organic Chemistry Frontiers

Transfer of Aryl Halide to Alkyl Halide: Reductive Elimination of Alkylhalide from Alkylpalladium Halides Containingsyn-β-Hydrogen Atoms

(2014) Wei Hao et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Synergistic Steric Effects in the Development of a Palladium-Catalyzed Alkyne Carbohalogenation: Stereodivergent Synthesis of Vinyl Halides

(2014) Christine M. Le et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

From Anilines to Isatins: Oxidative Palladium-Catalyzed Double Carbonylation of CH Bonds

(2014) Wu Li et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Palladium-Catalyzed Carbonylations of Aryl Bromides using Paraformaldehyde: Synthesis of Aldehydes and Esters

(2014) Kishore Natte et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The activation strain model and molecular orbital theory: understanding and designing chemical reactions

(2014) Israel Fernández et al.   CHEMICAL SOCIETY REVIEWS

Pd-Catalysed Mono- and Dicarbonylation of Aryl Iodides: Insights into the Mechanism and the Selectivity

(2014) Victor M. Fernández-Alvarez  et al.   CHEMISTRY-A EUROPEAN JOURNAL

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

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

Oxidative Addition of Rhodium Complexes Containing a Dithioimidodiphosphinate Ligand: Facile Reductive Elimination of Methyl Iodide from a Tetranuclear Rhodium Sulfido Cluster

(2014) Wai-Man Cheung et al.   EUROPEAN JOURNAL OF INORGANIC CHEMISTRY

Pd-Catalyzed Chemoselective Carbonylation of Aminophenols with Iodoarenes: Alkoxycarbonylation vs Aminocarbonylation

(2014) Tongyu Xu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Formation of C–X Bonds through Stable Low-Electron-Count Cationic Platinum(IV) Alkyl Complexes Stabilized by N-Heterocyclic Carbenes

(2014) Orestes Rivada-Wheelaghan et al.   ORGANOMETALLICS

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

Understanding the Reactivity Difference of Isocyanate and Isothiocyanate toward a Ruthenium Silylene Hydride Complex

(2014) Hujun Xie et al.   ORGANOMETALLICS

Computational Insight into the Mechanism of Nickel-Catalyzed Reductive Carboxylation of Styrenes using CO2

(2014) Ruming Yuan et al.   ORGANOMETALLICS

Palladium-Catalyzed Carbonylative Transformation of C(sp3)–X Bonds

(2014) Lipeng Wu et al.   ACS Catalysis

Oxidative Additions of Aryl Halides to Palladium Proceed through the Monoligated Complex

(2013) Krista Vikse et al.   ChemCatChem

Oxidative Addition to Palladium(0) Diphosphine Complexes: Observations of Mechanistic Complexity with Iodobenzene as Reactant

(2013) Almira Kurbangalieva  et al.   CHEMISTRY-A EUROPEAN JOURNAL

Kinetic and Electrochemical Studies of the Oxidative Addition of Demanding Organic Halides to Pd(0): the Efficiency of Polyphosphane Ligands in Low Palladium Loading Cross-Couplings Decrypted

(2013) Veronika A. Zinovyeva et al.   INORGANIC CHEMISTRY

Modular Mesoionics: Understanding and Controlling Regioselectivity in 1,3-Dipolar Cycloadditions of Münchnone Derivatives

(2013) Marie S. T. Morin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Palladium-Catalyzed Carbonylation Approach to Acid Chloride Synthesis

(2013) Jeffrey S. Quesnel et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

DFT Studies on Copper-Catalyzed Hydrocarboxylation of Alkynes Using CO2 and Hydrosilanes

(2013) Ting Fan et al.   ORGANOMETALLICS

Oxidative addition transition states of Pd(0) complexes in polar solvent—a DFT study involving implicit and explicit solvation

(2013) Eirik Lyngvi et al.   TETRAHEDRON

Palladium-Catalyzed Cross-Coupling: A Historical Contextual Perspective to the 2010 Nobel Prize

(2012) Carin C. C. Johansson Seechurn et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Synthesis of Heterocycles via Palladium-Catalyzed Carbonylations

(2012) Xiao-Feng Wu et al.   CHEMICAL REVIEWS

Palladium-Catalyzed Carbonylative Coupling of Aryl Iodides and Benzyl Acetylenes to 3-Alkylidenefuran-2-ones under Mild Conditions and Its Density Functional Theory Modeling

(2012) Xiao-Feng Wu et al.   CHEMISTRY-A EUROPEAN JOURNAL

Oxidative Carbonylation as a Powerful Tool for the Direct Synthesis of Carbonylated Heterocycles

(2012) Bartolo Gabriele et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

Theoretical Investigation into the Mechanism of 3′-dGMP Oxidation by [PtIVCl4(dach)]

(2012) Alireza Ariafard et al.   INORGANIC CHEMISTRY

Aminocarbonylations Employing Mo(CO)6 and a Bridged Two-Vial System: Allowing the Use of Nitro Group Substituted Aryl Iodides and Aryl Bromides

(2012) Patrik Nordeman et al.   JOURNAL OF ORGANIC CHEMISTRY

Theoretical study of Pd(0)-catalyzed carbohalogenation of alkenes: mechanism and origins of reactivities and selectivities in alkyl halide reductive elimination from Pd(ii) species

(2012) Yu Lan et al.   Chemical Science

Carbon-Halogen Bond Formation by the Reductive Elimination of PdII Species

(2012) Xuefeng Jiang et al.   Asian Journal of Organic Chemistry

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

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

Progress in Carbonylative-Heck Reactions of Aryl Bromides: Catalysis and DFT Studies

(2011) Xiao-Feng Wu et al.   ChemCatChem

Palladium-catalyzed carbonylative coupling reactions between Ar–X and carbon nucleophiles

(2011) Xiao-Feng Wu et al.   CHEMICAL SOCIETY REVIEWS

Reductive Elimination of ArCF3 from Bidentate PdII Complexes: A Computational Study

(2011) Philipp Anstaett et al.   CHEMISTRY-A EUROPEAN JOURNAL

Palladium-Catalyzed Carbohalogenation: Bromide to Iodide Exchange and Domino Processes

(2011) Stephen G. Newman et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ex Situ Generation of Stoichiometric and Substoichiometric 12CO and 13CO and Its Efficient Incorporation in Palladium Catalyzed Aminocarbonylations

(2011) Philippe Hermange et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

DFT Study on the Mechanism of the Activation and Cleavage of CO2by (NHC)CuEPh3(E = Si, Ge, Sn)

(2011) Alireza Ariafard et al.   ORGANOMETALLICS

DFT studies on the reaction of CO2 with allyl-bridged dinuclear palladium(I) complexes

(2011) Meiyan Wang et al.   POLYHEDRON

What Makes for a Bad Catalytic Cycle? A Theoretical Study on the Suzuki−Miyaura Reaction within the Energetic Span Model

(2011) Sebastian Kozuch et al.   ACS Catalysis

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

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

A DFT Study of Site-Selectivity in Oxidative Addition Reactions with Pd0 Complexes: The Effect of an Azine Nitrogen and the Use of Different Types of Halogen Atoms in the Substrate

(2010) Wouter A. Herrebout et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

Computational study of PtBu3 as ligand in the palladium-catalysed amination of phenylbromide with morpholine☆

(2010) Claire L. McMullin et al.   JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL

The Role of Reversible Oxidative Addition in Selective Palladium(0)-Catalyzed Intramolecular Cross-Couplings of Polyhalogenated Substrates: Synthesis of Brominated Indoles

(2010) Stephen G. Newman et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Ligand-Controlled Regioselectivity in Palladium-Catalyzed Cross Coupling Reactions

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

Palladium-Catalyzed Conversion of Aryl and Vinyl Triflates to Bromides and Chlorides

(2010) Xiaoqiang Shen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Base-Induced Mechanistic Variation in Palladium-Catalyzed Carbonylation of Aryl Iodides

(2010) Yanhe Hu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanism of the oxidative addition of aryl halides to bis-carbene palladium(0) complexes

(2010) Anny Jutand et al.   PURE AND APPLIED CHEMISTRY

Pd-catalysed carbonylations: versatile technology for discovery and process chemists

(2010) Ronald Grigg et al.   TETRAHEDRON

Dialkylbiaryl phosphines in Pd-catalyzed amination: a user's guide

(2010) David S. Surry et al.   Chemical Science

Palladium-Catalyzed Carbonylation Reactions of Aryl Halides and Related Compounds

(2009) Anne Brennführer et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Sterically demanding trialkylphosphines for palladium-catalyzed cross coupling reactions—alternatives to PtBu3

(2009) Christoph A. Fleckenstein et al.   CHEMICAL SOCIETY REVIEWS

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

(2009) Liqin Xue et al.   CHEMICAL SOCIETY REVIEWS

Mechanistic pathways for oxidative addition of aryl iodides to the low-ligated diethanolamine palladium(0) complex in phosphine-free Heck reactions

(2009) Zorica D. Petrović et al.   JOURNAL OF ORGANOMETALLIC CHEMISTRY

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

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

Revealing a Second Transmetalation Step in the Negishi Coupling and Its Competition with Reductive Elimination: Improvement in the Interpretation of the Mechanism of Biaryl Syntheses

(2009) Qiang Liu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Multicatalytic Synthesis of α-Pyrrolidinyl Ketones via a Tandem Palladium(II)/Indium(III)-Catalyzed Aminochlorocarbonylation/Friedel−Crafts Acylation Reaction

(2009) Tim A. Cernak et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Subtle Balance of Ligand Steric Effects in Stille Transmetalation

(2009) Alireza Ariafard et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

C−C Reductive Elimination in Palladium Complexes, and the Role of Coupling Additives. A DFT Study Supported by Experiment

(2009) Martín Pérez-Rodríguez 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

Surveying Sterically Demanding N-Heterocyclic Carbene Ligands with Restricted Flexibility for Palladium-catalyzed Cross-Coupling Reactions

(2008) Sebastian Würtz et al.   ACCOUNTS OF CHEMICAL RESEARCH

Metal-Catalyzed One-Step Synthesis: Towards Direct Alternatives to Multistep Heterocycle and Amino Acid Derivative Formation

(2008) Bruce A. Arndtsen   CHEMISTRY-A EUROPEAN JOURNAL

Palladium-Catalyzed Carbonylation Reactions of Aryl Bromides at Atmospheric Pressure: A General System Based on Xantphos

(2008) Joseph R. Martinelli et al.   JOURNAL OF ORGANIC CHEMISTRY

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

Palladium-Catalyzed Carbonylation of Aryl Tosylates and Mesylates

(2008) Rachel H. Munday et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Palladium-Catalyzed CarbonylationA Reaction Come of Age

(2008) Christopher F. J. Barnard   ORGANOMETALLICS

Theoretical Study on Monoligated Pd-Catalyzed Cross-Coupling Reactions of Aryl Chlorides and Bromides

(2008) Zhe Li et al.   ORGANOMETALLICS

Long-range corrected hybrid density functionals with damped atom–atom dispersion corrections

(2008) Jeng-Da Chai et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS