Mechanism of Cu/Pd-catalyzed decarboxylative cross-couplings: a DFT investigation
A Fromm, C van Wüllen…
Index: 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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Citation Number: 44
Abstract
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,
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