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. Author manuscript; available in PMC: 2015 Jan 29.
Published in final edited form as: J Am Chem Soc. 2014 Jan 14;136(4):1545–1558. doi: 10.1021/ja411376u

Figure 6.

Figure 6

X-band EPR spectra (black traces) recorded in parallel mode (B1 parallel B) at 4 K (bottom) and at 18 K (middle). Experimental conditions at 4K/18K: microwave power: 0.2 mW/20 mW; frequency: 9.267 GHz; modulation amplitude: 1 mT. Simulations (red traces) were obtained with SpinCount using the St = 3 spin Hamiltonian of eq 1 for D = 2.28 cm−1, E/D = 0.288; σ(E/D) = 0.023; gx,y,z = 2.00; packet width = 0.8 mT. Drawn separately in blue above the 18 K spectrum is a simulation for the excited geff ≈ 12 doublet.