Literature DB >> 15467842

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

Lukas J Goossen1, Debasis Koley, Holger Hermann, Walter Thiel.   

Abstract

Based on DFT calculations, a new mechanism for the oxidative addition of aryl halides to Pd-catalysts is presented. The key intermediate is an anionic Pd-species in which the aryl halide coordinates to the palladium via the halide atom.

Entities:  

Year:  2004        PMID： 15467842     DOI： 10.1039/b409144b

Source DB:  PubMed          Journal:  Chem Commun (Camb)        ISSN： 1359-7345            Impact factor:   6.222


  5 in total

1.  Computational study of the Sonogashira cross-coupling reaction in the gas phase and in dichloromethane solution.

Authors:  Lauri Sikk; Jaana Tammiku-Taul; Peeter Burk; András Kotschy
Journal:  J Mol Model       Date:  2011-12-10       Impact factor: 1.810

2.  DFT Investigation of Suzuki-Miyaura Reactions with Aryl Sulfamates Using a Dialkylbiarylphosphine-Ligated Palladium Catalyst.

Authors:  Patrick R Melvin; Ainara Nova; David Balcells; Nilay Hazari; Mats Tilset
Journal:  Organometallics       Date:  2017-09-13       Impact factor: 3.876

Review 3.  Oriented internal electrostatic fields: an emerging design element in coordination chemistry and catalysis.

Authors:  Alexander B Weberg; Ryan P Murphy; Neil C Tomson
Journal:  Chem Sci       Date:  2022-04-20       Impact factor: 9.969

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

Authors:  Christian Sköld; Jonatan Kleimark; Alejandro Trejos; Luke R Odell; Sten O Nilsson Lill; Per-Ola Norrby; Mats Larhed
Journal:  Chemistry       Date:  2012-02-28       Impact factor: 5.236

5.  Alkynylation of graphene via the Sonogashira C-C cross-coupling reaction on fluorographene.

Authors:  Demetrios D Chronopoulos; Miroslav Medved'; Piotr Błoński; Zdeněk Nováček; Petr Jakubec; Ondřej Tomanec; Aristides Bakandritsos; Veronika Novotná; Radek Zbořil; Michal Otyepka
Journal:  Chem Commun (Camb)       Date:  2019-01-22       Impact factor: 6.222
  5 in total

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