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A) NRVS spectrum of FeIII(BLM) in 16O (black) and 18O (green) and DFT simulations of (BLM)FeIII-OH2 (second panel) and (BLM)FeIII-OH (third panel). B) NRVS spectrum of ABLM in black and DFT simulations of (ABLM)FeIII-O2H2 (second panel) and (ABLM)FeIII-OOH. C) Vibrational modes of the FeIII-OOH model of ABLM depicting the Fe-O-O bend, in-plane and out-of-plane trans-axial bends and Fe-O stretch. Adapted from Ref. 26.
