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 6

The correlations between the Ramsey terms, spin-spin coupling, and isotropic and anisotropic shielding and their interatomic distance.

	FC	SD	PSO	DSO	J-Coup	Dist
FC	1.00	0.28	0.17	0.59	1.00	−0.69
SD	0.28	1.00	0.87	0.28	0.35	−0.25
PSO	0.17	0.87	1.00	0.20	0.24	−0.19
DSO	0.59	0.28	0.20	1.00	0.60	−0.26
J-Coup	1.00	0.35	0.24	0.60	1.00	−0.70
Dist	−0.69	−0.25	−0.19	−0.26	−0.70	1.00
Iso1	0.48	0.25	0.27	0.63	0.50	−0.35
Aniso1	−0.48	−0.27	−0.29	−0.64	−0.50	0.34
Iso2	−0.14	−0.77	−0.89	−0.21	−0.21	0.19
Aniso2	−0.44	−0.65	−0.67	−0.60	−0.49	0.28
Ave(Iso)	0.48	0.18	0.18	0.62	0.49	−0.34
Ave(Aniso)	−0.48	−0.28	−0.30	−0.64	−0.50	0.34