Fig. 2.

Overview over possible intermediates responsible for the C–H activation in LPMOs and their relation in terms of oxidation/reduction and protonation/deprotonation reactions. The product of the hydrogen-abstraction reaction in Scheme 2 is equivalent with the addition of an electron and a proton to the reactant, leading to the species one step along the diagonal down and right in the figure. Intermediates in dashed boxes a–c are considered in this study. The insets show Lewis structures of two of the intermediates