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. Author manuscript; available in PMC: 2022 Nov 15.
Published in final edited form as: J Am Chem Soc. 2021 Oct 28;143(44):18617–18625. doi: 10.1021/jacs.1c08551

Figure 4.

Figure 4.

Energetics (the preferred binding mode highlighted as conformer A, see SI for details) for the carbonyl de-insertion process at (A) I-COCF3 and (B) I-COCHF2 with selected key angles α, β, γ, and δ for I-CORF and TS1-RF.