Non-innocent Additives in a Palladium(II)-Catalyzed C-H Bond Activation Reaction: Insights into Multimetallic Active Catalysts

作者:Anand Megha; Sunoj Raghavan B*; Schaefer Henry F III
来源:Journal of the American Chemical Society, 2014, 136(15): 5535-5538.
DOI:10.1021/ja412770h

摘要

The role of a widely employed additive (AgOAc) in a palladium acetate-catalyzed ortho-C-H bond activation reaction has been examined using the M06 density functional theory. A new hetero-bimetallic Pd-(mu-OAc)(3)-Ag is identified as the most likely active species. This finding could have far-reaching implications with respect to the notion of the active species in palladium catalysis in the presence of other metal salt additives.

  • 出版日期2014-4-16