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. Author manuscript; available in PMC: 2022 May 9.
Published in final edited form as: J Am Chem Soc. 2021 May 27;143(22):8237–8243. doi: 10.1021/jacs.1c02323

Figure 2.

Figure 2.

57Fe-PVDOS for the [2Fe]H precursor isotopologues 1 (blue) vs 13CD-1 (red) from (a) NRVS experiments and (b) DFT calculations. Sticks correspond to individual DFT normal mode energies and intensities before lineshape convolution. For 13CD-1, important band positions are labeled, and atomic motions in selected normal modes are shown.