Table 3.
Variant | g | A (MHz) | Aiso(MHz) | α 2 |
---|---|---|---|---|
WTAz | [2.262, 2.056, 2.042] | [−177, 33, 33] | −37 | 0.49 |
M121EAz | [2.285, 2.061, 2.059] | [−307, 84, 10] | −71 | 0.65 |
HEAz (M121H/H46E) | [2.239, 2.062, 2.034] | [−462, 95, 70] | −99 | 0.74 |
HESAz (M121H/H46E/N47S) | [2.250, 2.072, 2.025] | [−458, 70, 60] | −109 | 0.75 |
HENAz (M121H/H46E/F114N) | [2.232, 2.058, 2.040] | [−414, 83, 31] | −101 | 0.69 |
HENSAz (M121H/H46E/F114N/N47S) | [2.244, 2.057, 2.045] | [−420, 70, 28] | −107 | 0.71 |
HEPAz (M121H/H46E/F114P) | [2.252, 2.056, 2.030] | [−482, 70, 51] | −120 | 0.78 |
α2 corresponds to the fractional metal character calculated by using κ = 0.30 for all variants. The assignment of signs was based on the assumption of a -dominated SOMO, where the dipolar hyperfine contribution (z, y, x) = (−4/7, 2/7, 2/7)Pd. Values for g and A for WTAz are reproduced from ref 14.