Mechanism of Cu/Pd-catalyzed decarboxylative cross-couplings: a DFT investigation

A Fromm, C van Wüllen…

文献索引：Song, Bingrui; Knauber, Thomas; Goossen, Lukas J. Angewandte Chemie - International Edition, 2013 , vol. 52, # 10 p. 2954 - 2958 Angew. Chem., 2013 , vol. 125, # 10 p. 3026 - 3030

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被引用次数: 44

摘要

The reaction mechanism of decarboxylative cross-couplings of benzoates with aryl halides to give biaryls, which is cooperatively catalyzed by copper/palladium systems, was investigated with DFT methods. The geometries and energies of all starting materials,

~26%

~27%

~54%

~82%

~89%

~86%

~71%

~10%

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