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. Author manuscript; available in PMC: 2021 Feb 22.
Published in final edited form as: J Am Chem Soc. 2020 Jun 24;142(27):11804–11817. doi: 10.1021/jacs.0c03085

Figure 3.

Figure 3.

Mössbauer spectra of [FeIVpoat(O)]− (red traces, 4.2 K) and simulations (black traces) at the magnetic fields listed. Each simulation is the sum of S = 2 (80%) and S = 5/2 (20%) species. One set of simulations of the individual species is shown for the spectrum recorded at 7 T (solid trace is S = 2 and dashed trace is S = 5/2). S = 2 parameters: D = +5.1(3) cm−1, E/D = 0.03, A = (−15 −16 −28) T, δ = 0.11 mm/s, ΔEQ = +0.27 mm/s, η = 0.04. S = 5/2 parameters: D = +1.0 cm−1, E/D = 0.33, Aiso = −20 T, δ = 0.32 mm/s, ΔEQ = 0.80 mm/s, η = 0.03.