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. Author manuscript; available in PMC: 2014 Jun 5.
Published in final edited form as: Inorg Chem. 2013 Apr 15;52(9):5236–5245. doi: 10.1021/ic400171z

Table 2.

Simulation parameters for the EPR spectra of reduced and partially oxidized Co-SODA

Parametera Reduced Co-SODA Partially oxidized Co-SODA
gx (±0.001) 2.527 2.476
gy 2.111 2.199
gz 2.298 2.276
ΔBx (MHz) 3480 3695
Δ By 5544 6096
Δ Bz 2824 2491
D (MHz) ≥ 5 × 108 ≥ 5 × 108
E/D 0.02 0.02
[(gx−gy/gz) × 100%] 18.102 12.170
a

The simulation parameters were the following: the principal g values (gx, gy and gz), the line widths (ΔBx, ΔBy and ΔBz) and the zero-field splitting parameters, D and E.