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. Author manuscript; available in PMC: 2019 Dec 7.
Published in final edited form as: ACS Catal. 2018 Nov 1;8(12):11704–11715. doi: 10.1021/acscatal.8b03051

Figure 8.

Figure 8.

Mössbauer spectra (red lines) and simulations (black lines) of ~0.8 mM Dv FDPred mixed with 2 equiv of NO quenched at 100 ms. Temperature and magnetic field: (A) 4 K, 0.12 T, plotted at half area, (B) 4 K, 7.5 T, (C) 100 K, 7.5 T, (D) 150 K, 7.5 T. For one of the simulations (B), gray lines show the species contributing to the sum. Simulation parameters for equivalent {FeNO}7 sites (solid line): J = 66 cm−1, S = 3/2, D = +14 cm−1, E/D = 0, g = 2, Aiso/gnβn = −27 T, δ = 0.71 mm/s, ΔEq = 1.85 mm/s, η = 1. Impurity species (dashed line): S = 3/2, D = +13 cm−1, E/D = 0, g = 2, Aiso/gnβn = −27 T, δ = 0.70 mm/s, ΔEq = 1.65 mm/s, η = 1.