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. Author manuscript; available in PMC: 2018 Dec 13.
Published in final edited form as: J Am Chem Soc. 2017 Dec 1;139(49):18024–18033. doi: 10.1021/jacs.7b09560

Figure 7.

Figure 7

TDDFT calculated spectra of models 3 (solid, black) and 4 (solid, blue) and the corresponding hypothetical models 3a (dashed, black), 3b (dashed, pink) and a 5-coordinate diiron closed core 5C (dashed, brown).