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. Author manuscript; available in PMC: 2017 Apr 20.
Published in final edited form as: J Am Chem Soc. 2016 Apr 12;138(15):5110–5122. doi: 10.1021/jacs.6b01151

Figure 4.

Figure 4

Two different origins of the pseudo-A term in the MCD spectra of S = 2 TBP ferryl species: low-symmetry splitting of LF 5E state in Br–FeIV═O (right) vs SOC splitting of LF 5E in C3 symmetric (TMG3tren)FeIV═O (left). ΔEvertical values are derived from the fits of the vibronically resolved pseudo-A term features using two FC progressions.