Molecular mechanism of acid-triggered aryl-halide reductive elimination in well-defined aryl-Cu(III)-halide species.
Well-defined aryl-Cu(III)-halide species undergo reductive elimination upon acid addition resulting in the formation of strong aryl-halide bonds. The computationally studied mechanism points towards ligand protonation as the rate-determining step, in agreement with previous experimental data.
Casitas
Alicia
A
Departament de Química, Universitat de Girona, Campus de Montilivi, Girona, E-17071, Catalonia, Spain.
Poater
Albert
A
Solà
Miquel
M
Stahl
Shannon S
SS
Costas
Miquel
M
Ribas
Xavi
X
D003300:Copper / Q000737:chemistry*; D006219:Halogens / Q000737:chemistry*; D006841:Hydrocarbons, Aromatic / Q000737:chemistry*; D008958:Models, Molecular; D008968:Molecular Conformation; D010084:Oxidation-Reduction
D006219:Halogens; D006841:Hydrocarbons, Aromatic; D003300:Copper