The mechanism of the oxidative addition of aryl halides to Pd-catalysts: a DFT investigation |
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| Authors: | Goossen Lukas J Koley Debasis Hermann Holger Thiel Walter |
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| Institution: | Max-Planck-Institut fur Kohlenforschung, Kaiser-Wilhelm-Platz 1, D-45470, Mulheim an der Ruhr, Germany. goossen@mpi-muelheim.mpg.de |
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| 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. |
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