Figure 4.
DFT-Optimized Pathway (Relative Energies to Pd(0) in kcal/mol) for the Activation of Catalysts 6 (black), 11 (red), and 12 (blue). 6 = IPr, 11 = SIPr, 12 = IPr∗, [Pd(NHC)(μ-Cl)Cl]2
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