Table 1.
A iso/h | A x′x′/h | A y′y′/h | A z′z′/h | x′ | y′ | z′ | ||
---|---|---|---|---|---|---|---|---|
H1 | 22.6 (0.3) | −2.2 (0.6) | −1.3 (0.6) | 3.6 (0.6) | x | 0.955 | −0.272 | −0.114 |
y | 0.285 | 0.752 | 0.594 | |||||
z | −0.080 | −0.600 | 0.796 | |||||
H2 | 18.8 (0.4) | −4.4 (0.8) | 0.25 (0.8) | 4.15 (0.8) | x | 0.805 | 0.504 | 0.314 |
y | 0.316 | −0.811 | 0.492 | |||||
z | −0.503 | 0.297 | 0.812 |
The hyperfine values are expressed in MHz. The tensors are decomposed in their isotropic and anisotropic contribution. The values in brackets represent the errors in the tensor elements. The direction cosines represent the directions of the principal axes systems of the proton hyperfine tensors (x′, y′, z′) in the principal axes system (x, y, z) of the g-tensor. We have taken A iso positive