Fig. 5: Mechanistic studies.
From: Expanding chemical space by para-C−H arylation of arenes
a Kinetic studies. b DFT studies [wB97XD/def2-TZVP//B3LYP/6-31G(d) + LANL08(f) computed Gibbs energy profile for the proposed mechanism of Pd-catalyzed para-C-H arylation reaction].
