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

Literature Information

Publication Date 2004-08-20
DOI 10.1039/B409144B
Impact Factor 6.222
Authors

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


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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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Chemical Communications

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