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. Author manuscript; available in PMC: 2014 Aug 6.
Published in final edited form as: Nature. 2013 Jul 18;499(7458):320–323. doi: 10.1038/nature12304

Figure 5.

Figure 5

H-atom abstraction reaction coordinates for π-trajectory (1Thr–Cl, green) and σ-trajectory (orange), with energies (ΔEG) given in kJ mol−1. Structures of FeIII(S=5/2)—OH products displayed on right (with distances in Å), showing 1Thr–FeIIIOH (with hydrogen-bonding interactions indicated) set up for chlorination and σ-product set up for hydroxylation. For additional structural details, see Supplementary Fig. 11.