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. Author manuscript; available in PMC: 2020 Nov 5.
Published in final edited form as: J Am Chem Soc. 2020 Oct 26;142(44):18886–18896. doi: 10.1021/jacs.0c08903

Figure 4.

Figure 4.

A) Hydrogen atom abstraction reaction coordinate depicting the FeIV=O reactant complex, the transition state and the FeIII-OH product complex. B) Electron flow during hydrogen atom abstraction reactivity where the FeIV=O first polarizes to a FeIII-oxyl and transfers an electron to either dσ* or dπ* orbital depending on substrate orientation. There is an additional promotion energy (PE) for the π pathway. C) SP, TBP and 6C geometries evaluated for HAA reactivity. D) The 140° and 120° orientations evaluated in this study.