Issue 19, 2004
From the journal:

Chemical Communications

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

Lukas J. Gooßen,*a   Debasis Koley,a   Holger Hermanna  and  Walter Thiel*a  

* Corresponding authors

a Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, Mülheim an der Ruhr, Germany
E-mail: goossen@mpi-muelheim.mpg.de
Fax: +49-208-306-2997
Tel: +49-208-306-2392

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.

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

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Article information

DOI
https://doi.org/10.1039/B409144B
Article type
Communication
Submitted
17 Jun 2004
Accepted
22 Jul 2004
First published
20 Aug 2004

Chem. Commun., 2004, 2141-2143

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

L. J. Gooßen, D. Koley, H. Hermann and W. Thiel, Chem. Commun., 2004, 2141 DOI: 10.1039/B409144B

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