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(A) NRVS spectra (PVDOS) of 16O and 18O (BLM)FeIII (top) and DFT-simulated PVDOS spectra of two models with H2O (middle) and OH− (bottom) as axial ligands. (B) NRVS spectrum of ABLM (top) and DFT-simulated spectra with H2O2 (middle) and OOH− (bottom) as axial ligands. (C) Major NRVS-active vibrational modes of ABLM.
