Palladium-Catalyzed C−H Activation/C−N Bond Formation Reactions: DFT Study of Reaction Mechanisms and Reactive Intermediates

2010 ◽  
Vol 29 (4) ◽  
pp. 821-834 ◽  
Author(s):  
Zhuofeng Ke ◽  
Thomas R. Cundari
Keyword(s):  
Reaction Mechanisms ◽  
Bond Formation ◽  
Reactive Intermediates ◽  
Dft Study ◽  
Palladium Catalyzed ◽  
Bond Formation Reactions

Thiolate–palladium(iv) or sulfonium–palladate(0)? A theoretical study on the mechanism of palladium-catalyzed C–S bond formation reactions

2017 ◽  
Vol 4 (6) ◽  
pp. 943-950 ◽  
Author(s):  
Dongdong Xu ◽  
Xiaotian Qi ◽  
Meng Duan ◽  
Zhaoyuan Yu ◽  
Lei Zhu ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Bond Formation ◽  
Oxidative Addition ◽  
Palladium Catalyzed ◽  
Catalytic Cycles ◽  
Bond Formation Reactions

Thiolate–palladium(iv) intermediates are generated through oxidative addition in our suggested mechanisms, and are the key intermediates in these catalytic cycles.

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