(Q34178015)

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Transmetallation versus β-hydride elimination: the role of 1,4-benzoquinone in chelation-controlled arylation reactions with arylboronic acids

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scholarly article

1 reference

Europe PubMed Central

PubMed publication ID

31 July 2017

Transmetallation versus β-hydride elimination: the role of 1,4-benzoquinone in chelation-controlled arylation reactions with arylboronic acids (English)

1 reference

Europe PubMed Central

PubMed publication ID

31 July 2017

7

object named as

Mats Larhed

1 reference

Europe PubMed Central

PubMed publication ID

31 July 2017

author name string

Christian Sköld

1

1 reference

Europe PubMed Central

PubMed publication ID

31 July 2017

Jonatan Kleimark

2

1 reference

Europe PubMed Central

PubMed publication ID

31 July 2017

Alejandro Trejos

3

1 reference

Europe PubMed Central

PubMed publication ID

31 July 2017

Luke R Odell

4

1 reference

Europe PubMed Central

PubMed publication ID

31 July 2017

Sten O Nilsson Lill

5

1 reference

Europe PubMed Central

PubMed publication ID

31 July 2017

Per-Ola Norrby

6

1 reference

Europe PubMed Central

PubMed publication ID

31 July 2017

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publication date

28 February 2012

1 reference

Europe PubMed Central

PubMed publication ID

31 July 2017

Chemistry—A European Journal

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Europe PubMed Central

PubMed publication ID

31 July 2017

18

1 reference

Europe PubMed Central

PubMed publication ID

31 July 2017

15

1 reference

Europe PubMed Central

PubMed publication ID

31 July 2017

4714-4722

1 reference

Europe PubMed Central

PubMed publication ID

31 July 2017

Breaking the regioselectivity rule for acrylate insertion in the Mizoroki-Heck reaction

1 reference

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5 July 2018

Kinetic data for the transmetalation/reductive elimination in palladium-catalyzed Suzuki-Miyaura reactions: unexpected triple role of hydroxide ions used as base

1 reference

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5 July 2018

Distinguishing between pathways for transmetalation in Suzuki-Miyaura reactions

1 reference

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

1 reference

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Palladium(II)-catalyzed coupling reactions with a chelating vinyl ether and arylboronic acids: a new Heck/Suzuki domino diarylation reaction.

1 reference

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pi-Acidic alkene ligand effects in Pd-catalysed cross-coupling processes: exploiting the interaction of dibenzylidene acetone (dba) and related ligands with Pd(0) and Pd(II).

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The Heck-Mizoroki cross-coupling reaction: a mechanistic perspective

1 reference

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Selective terminal heck arylation of vinyl ethers with aryl chlorides: a combined experimental-computational approach including synthesis of betaxolol

1 reference

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A combined kinetic-quantum mechanical model for assessment of catalytic cycles: application to cross-coupling and Heck reactions.

1 reference

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5 July 2018

Dioxygen-promoted regioselective oxidative heck arylations of electron-rich olefins with arylboronic acids

1 reference

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5 July 2018

The first ligand-modulated oxidative Heck vinylation. Efficient catalysis with molecular oxygen as palladium(0) oxidant

1 reference

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5 July 2018

Palladium-catalyzed coupling reactions of aryl chlorides

1 reference

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5 July 2018

The heck reaction as a sharpening stone of palladium catalysis

1 reference

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5 July 2018

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

1 reference

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5 July 2018

Palladium-catalyzed vinylic hydrogen substitution reactions with aryl, benzyl, and styryl halides

1 reference

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21 January 2018

Arylation of Olefin with Aryl Iodide Catalyzed by Palladium

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Fine Feathers Make Fine Birds: The Heck Reaction in Modern Garb

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Arylboronic acids as versatile coupling partners in fast microwave promoted oxidative Heck chemistry

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Efficient palladium(II) catalysis under air. Base-free oxidative heck reactions at room temperature or with microwave heating

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Chelation-mediated palladium(II)-catalyzed domino Heck-Mizoroki/Suzuki-Miyaura reactions using arylboronic acids: increasing scope and mechanistic understanding.

1 reference

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21 January 2018

Formation of anionic palladium(0) complexes ligated by the trifluoroacetate ion and their reactivity in oxidative addition

1 reference

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21 January 2018

The mechanism of the oxidative addition of aryl halides to Pd-catalysts: a DFT investigation

1 reference

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21 January 2018

Mechanistic Pathways for Oxidative Addition of Aryl Halides to Palladium(0) Complexes: A DFT Study

1 reference

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21 January 2018

Combined experimental and theoretical study of the mechanism and enantioselectivity of palladium- catalyzed intermolecular Heck coupling.

1 reference

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21 January 2018

Active anionic zero-valent palladium catalysts: characterization by density functional calculations

1 reference

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21 January 2018

The palladium-catalyzed cross-coupling reaction of carboxylic anhydrides with arylboronic acids: a DFT study

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Density functional studies on palladium-catalyzed Suzuki-Miyaura cross-coupling reactions assisted by N- or P-chelating ligands

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

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Application of dispersion-corrected density functional theory

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Evaluation of dispersion-corrected density functional theory (B3LYP-DCP) for compounds of biochemical interest

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Binding energy of d10 transition metals to alkenes by wave function theory and density functional theory☆

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On the Mechanism of Ruthenium-Catalyzed Formation of Hydrogen from Alcohols: A DFT Study

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Serial ligand catalysis: a highly selective allylic C-H oxidation

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Palladium-catalyzed alkylation of aryl C-H bonds with sp3 organotin reagents using benzoquinone as a crucial promoter

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Mechanism of benzoquinone-promoted palladium-catalyzed oxidative cross-coupling reactions.

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C-C reductive elimination in palladium complexes, and the role of coupling additives. A DFT study supported by experiment

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Acceleration of reductive elimination of [Ar-Pd-C(sp3)] by a phosphine/electron-deficient olefin ligand: a kinetic investigation

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A new mixing of Hartree–Fock and local density‐functional theories

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Density-functional thermochemistry. III. The role of exact exchange

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Accurate First Principles Calculation of Molecular Charge Distributions and Solvation Energies from Ab Initio Quantum Mechanics and Continuum Dielectric Theory

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The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other fun

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Evidence for (π-allyl)palladium(II)(quinone) complexes in the palladium-catalyzed 1,4-diacetoxylation of conjugated dienes

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Valency and Bonding

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The Mizoroki–Heck Reaction

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Neighbouring-Group Effects in Heck Reactions

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Oxidative Addition of the Fluoromethane C−F Bond to Pd. An ab Initio Benchmark and DFT Validation Study

1 reference

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Ligand exchanges and hydroxypalladation reactions of the Wacker process in aqueous solution at high Cl⁻ concentration

1 reference

https://pubmed.ncbi.nlm.nih.gov/22374849

12 December 2020

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Computational characterization of the role of the base in the Suzuki-Miyaura cross-coupling reaction

1 reference

https://pubmed.ncbi.nlm.nih.gov/22374849

12 December 2020

based on heuristic

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Oxygen and base-free oxidative heck reactions of arylboronic acids with olefins

1 reference

https://pubmed.ncbi.nlm.nih.gov/22374849

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Mizoroki-Heck type reaction of organoboron reagents with alkenes and alkynes. A Pd(II)-catalyzed pathway with Cu(OAc)2 as an oxidant

1 reference

https://pubmed.ncbi.nlm.nih.gov/22374849

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A DFT comparison of the neutral and cationic Heck pathways

1 reference

https://pubmed.ncbi.nlm.nih.gov/22374849

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Significant van der Waals Effects in Transition Metal Complexes

1 reference

https://pubmed.ncbi.nlm.nih.gov/22374849

12 December 2020

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Aryl transfer between Pd(II) centers or Pd(IV) intermediates in Pd-catalyzed domino reactions

1 reference

https://pubmed.ncbi.nlm.nih.gov/22374849

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Oxygen-promoted Pd(II) catalysis for the coupling of organoboron compounds and olefins

1 reference

https://pubmed.ncbi.nlm.nih.gov/22374849

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Electronic control of the regiochemistry in palladium-phosphine catalyzed intermolecular Heck reactions

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Oxidative Addition of the Chloromethane C−Cl Bond to Pd, an ab Initio Benchmark and DFT Validation Study

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Sulfoxides as stereochemical controllers in intermolecular Heck reactions

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Transmetalation of unsaturated carbon nucleophiles from boron-containing species to the mid to late d-block metals of relevance to catalytic C-X coupling reactions (X = C, F, N, O, Pb, S, Se, Te)

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The crucial role of dispersion in the cohesion of nonbridged binuclear Os --> Cr and Os --> W adducts

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Identifiers

10.1002/CHEM.201102678

1 reference

Europe PubMed Central

PubMed publication ID

31 July 2017

PMC publication ID

1 reference

Europe PubMed Central

PubMed publication ID

31 July 2017

PubMed publication ID

1 reference

Europe PubMed Central

PubMed publication ID

31 July 2017

ResearchGate publication ID

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