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. Author manuscript; available in PMC: 2022 Aug 5.
Published in final edited form as: J Am Chem Soc. 2020 Jun 11;142(25):10996–11005. doi: 10.1021/jacs.0c02126

Figure 3.

Figure 3.

DFT calculated reaction pathway for the cyclization of 3 into 2-phenyl-5,5-dimethylpyrrolidine (4) mediated by (AdFL)Ni(py) (1). Energies are reported in kcal/mol relative to the (AdFL)Ni(•NR) catalyst resting state. [B3LYP/ def2-SVP (C, H) and def2-TZVP (Ni, N, F)]49–52