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Volumn 80, Issue 15, 2015, Pages 7642-7651

Effects of Molecular Oxygen, Solvent, and Light on Iridium-Photoredox/Nickel Dual-Catalyzed Cross-Coupling Reactions

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; CHEMICAL REACTIONS; IRIDIUM; LIGHT EMITTING DIODES; LIGHT SOURCES; NICKEL; SOLVENTS;

EID: 84938765894     PISSN: 00223263     EISSN: 15206904     Source Type: Journal    
DOI: 10.1021/acs.joc.5b01193     Document Type: Article
Times cited : (81)

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    • We conducted our own DFT studies using similar methods (functionals and basis sets) as Molander and Kozlowski (see ref 8c). We found that the α-amino radical trap Ni(I)X complex 12 and Ni(0) complex 13 to give their corresponding Ni(II) and Ni(I) species, respectively, and the processes are highly exergonic. The transition state of Ni(I)-alkyl (14) oxidative addition to 4-iodotoluene was also located. Also see.
    • We conducted our own DFT studies using similar methods (functionals and basis sets) as Molander and Kozlowski (see ref 8c). We found that the α-amino radical trap Ni(I)X complex 12 and Ni(0) complex 13 to give their corresponding Ni(II) and Ni(I) species, respectively, and the processes are highly exergonic. The transition state of Ni(I)-alkyl (14) oxidative addition to 4-iodotoluene was also located. Also see:.


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