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. Author manuscript; available in PMC: 2021 Dec 7.
Published in final edited form as: Phys Chem Chem Phys. 2020 Dec 7;22(46):26652–26668. doi: 10.1039/d0cp04848h

Figure 9.

Figure 9.

Correlation between the calculated Fea3-O bond lengths (rFe-O, Å) and the corresponding Fea3-O stretch frequencies (1/νFe-O2/3, based on Badger’s rule) for the eight DNC state structures studied.59 Reprint with permission from Figure 7 of Ref 59, copyright © 2019 American Chemical Society.