Supported by the NNSFC (20674034);Natural Science Youth Foundation of Jiangxi Province (No. 2010GQH0028)
Based on DFT calculations, the catalytic mechanism of palladium(0) atom, commonly considered as the catalytic center for Sonogashira cross-coupling reactions, has been analyzed in this study. In the cross-coupling r...
Supported by the NNSFC (No. 20464001 and 20674034)
The mechanism of palladium-catalyzed Sonogashira cross-coupling reaction has been studied theoretically by DFT (density functional theory) calculations. The model system studied consists of Pd(PH3)2 as the startin...