Room-Temperature Palladium-Catalyzed Negishi-Type Coupling: A Combined Experimental and Theoretical Study

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Abstract

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An air-stable, bulky electron-accepting phosphine ligand (phosphabarrelene) allows the easy reduction of a PdII precursor to a Pd0 complex, highly active in room-temperature Negishi-type cross-coupling. DFT calculations show that the use of the electron-accepting ligand favors both transmetalation (TM) and reductive-elimination (RE) processes (see scheme; OA=oxidative addition).

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