Unexpected Nickel Complex Speciation Unlocks Alternative Pathways for the Reactions of Alkyl Halides with dppf-Nickel(0)

26 May 2020, Version 1
This content is a preprint and has not undergone peer review at the time of posting.


The mechanism of the reactions between dppf-Ni0 complexes and alkyl halides has been investigated using kinetic and mechanistic experiments and DFT calculations. The active species is [Ni(dppf)2], which undergoes a halide abstraction reaction with alkyl halides and rapidly captures the alkyl radical that is formed. The yields in prototypical nickel-catalysed Kumada cross-coupling reactions are shown to be improved by the addition of free phosphine ligands


nickel catalysis
halide abstraction
reaction kinetics
density functional theory

Supplementary materials

Greaves et al. - Alkyl Halides + dppf-Ni - ESI


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