One and Multiple Bonds Interatomic Spin-Spin Coupling in η⁶-Cymene Ru(II) of 3,5-Dimethyl-, 3,5-Dicarboxylic-, and 5-Phenyl-pyrazole Derivatives

Table 5

Selected spin-spin coupling of the complexes.

	1a	1b	2a	2b	3a	3b	4a	4b	5a	5b	6
^1JRu-C	−10.229	−8.180	−12.133	−13.854	−10.728	−9.717	−11.302	−9.409	−9.927	−11.207	−9.185
^1JRu-C	−10.152	−13.808	−13.433	−9.019	−8.204	−8.213	−7.953	−11.260	−7.377	−11.968	−9.390
^1JRu-C	−10.647	−9.147	−8.353	−12.067	−10.632	−9.697	−10.725	−13.750	−9.110	−11.491	−7.483
^1JRu-C	−9.995	−12.805	−10.014	−10.880	−9.809	−10.600	−9.557	−10.626	−7.721	−11.220	−7.033
^1JRu-C	−9.705	−10.989	−10.590	−8.483	−8.967	−11.085	−8.637	−10.505	−9.061	−7.547	−11.181
^1JRu-C	−9.630	−8.671	−10.181	−11.846	−10.443	−14.610	−10.472	−8.208	−8.844	−10.995	−10.765
^1JRu-N	−13.418	−14.851	−9.813	−12.478	−13.370	−13.577	−13.501	−13.279	−12.698	−12.607	−13.862
^1JRu-N/Cl	−24.916	−19.288	−21.008	−19.173	−12.917	−13.921	−12.313	−13.869	−11.754	−12.599	−13.410
^1JRu-Cl/O	−20.695	7.894	−23.491	7.530	−26.381	10.290	−26.967	10.540	−27.442	15.530	−11.433
^3JHc⋯Hc	6.124	6.631	6.663	6.795	6.406	6.780	6.647	6.624	6.610	6.631	7.151
^3JHc⋯Hc	6.385	6.245	6.259	6.370	6.527	6.532	6.295	6.727	6.627	6.895	6.269
^1JN-N	−1.443	−1.436	−1.293	−1.366	−1.649	−1.480	−1.579	−1.558	−2.043	−1.778	−1.670
^1JN-N					−1.602	−1.444	−1.779	−1.379	−2.167	−1.759	−1.783
JN⋯N					−0.425	−0.385	−0.338	−0.284	−0.373	−0.343	−0.068
^1JC-H	182.811	188.593	196.667	202.375	188.943	193.705	188.268	193.111	188.285	199.320	192.338
^1JC-H					188.932	193.874	190.010	193.288	188.134	199.256	195.214
JN⋯Np/^3JH⋯H									2.885	3.023	−0.324
JN⋯Np/^3JH⋯H									2.895	3.016	−0.363