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. Author manuscript; available in PMC: 2021 Nov 11.
Published in final edited form as: J Am Chem Soc. 2020 Oct 27;142(45):19033–19039. doi: 10.1021/jacs.0c09575

Figure 5.

Figure 5.

Transformation of four IBOs (ϕ1−ϕ4) along the IRC connecting palladium enolate 1 to 2 via TS1. Orbital change is defined in accordance with ref 24. Select atoms of PHOX ligand omitted for clarity.