TY - JOUR
T1 - Exploring the Role of Coinage Metalates in Trifluoromethylation: A Combined Experimental and Theoretical Study
AU - Martínez de Salinas, Sara
AU - Mudarra, Ángel L.
AU - Odena, Carlota
AU - Martínez Belmonte, Marta
AU - Benet-Buchholz, Jordi
AU - Maseras, Feliu
AU - Pérez-Temprano, Mónica H.
PY - 2019/7/17
Y1 - 2019/7/17
N2 - © 2019 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim Despite the known nucleophilic nature of [M(CF3)2]− (M=Cu, Ag, Au) complexes, their participation in trifluoromethylation reactions of aryl halides remains unexplored. Here, for the first time, selective access to a [Cu(CF3)2]− species is reported, which is ubiquitous in Cu-mediated trifluoromethylations, and we rationalize its complex mechanistic scenario as well as its behavior compared to its silver and gold congeners through a combination of experimental and computational approaches.
AB - © 2019 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim Despite the known nucleophilic nature of [M(CF3)2]− (M=Cu, Ag, Au) complexes, their participation in trifluoromethylation reactions of aryl halides remains unexplored. Here, for the first time, selective access to a [Cu(CF3)2]− species is reported, which is ubiquitous in Cu-mediated trifluoromethylations, and we rationalize its complex mechanistic scenario as well as its behavior compared to its silver and gold congeners through a combination of experimental and computational approaches.
KW - coinage ate-type complexes
KW - DFT calculations
KW - mechanism
KW - organometallic synthesis
KW - trifluoromethylation
U2 - 10.1002/chem.201900496
DO - 10.1002/chem.201900496
M3 - Article
C2 - 30714647
VL - 25
SP - 9390
EP - 9394
ER -