The mechanism of the oxidative addition of aryl halides to Pd-catalysts: a DFT investigation
Lukas J. Gooßen, Debasis Koley, H Hermann, Walter Thiel
Abstract
Lukas J. Gooßen, Debasis Koley, H 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.
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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.
Key concepts: Halide, Aryl, Oxidative addition, Catalysis, Chemistry, Aryl halide, Palladium, Oxidative phosphorylation