Published in
Royal Society of Chemistry, Catalysis Science & Technology, 17(9), p. 4561-4572, 2019
DOI: 10.1039/c9cy00752k
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Intermetallic species in the Negishi coupling and their involvement in inhibition pathways
Journal article published in 2019 by
Mikhail V. Polynski 
,
Evgeny A. Pidko
,
Evgeny A. Pidko
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Abstract
The formation of M–Zn-intermetallic species (M = Ni, Pd) in the course of the Negishi reaction in THF solvent and their potential impact on in situ catalyst inhibition were investigated by DFT calculations carried out at two levels of theory.