Table 1.
Parameter | Values (sulfur protonated) | Values (sulfur deprotonated) |
---|---|---|
Co2+ g-tensor values, g(Co2+) | 2.33, 2.23, 2.01 | 2.32, 2.23, 2.00 |
Radical g-tensor values, g(radical) | 2.009, 2.004, 2.002 | 2.016, 2.010, 2.002 |
Exchange coupling constant, J | 345 G | 350 G |
Zero-field splitting (ZFS) parameters | D = −27 G, E = 8 G | D = −27 G, E = 7 G |
59Co hyperfine tensor, (A) | 8 G, 5 G, 107 G | 7 G, 12 G, 107 G |
Euler angles between g(Co2+) and g(radical) | 65, 50, −90 | 80, 80, 180 |
Euler angles between g(Co2+) and ZFS-tensor | 70, 45, −85 | 60, 75, −70 |