Research Article
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 3
The experimental and the theoretical (direct and fitting) of the 1H-NMR of the complexes in ppm.
| | Direct | Fitting | Experimental |
| 1a | CH3 | 0.94 to 3.05 | 1.44 to 3.48 | 1.33 to 2.50 | C-Hc | 3.45 | 3.87 | 2.86 | C4-H | 5.921 | 6.27 | 6.06 | -H | 4.64 to 5.13 | 5.02 to 5.50 | 5.49 to 6.28 | NH | 12.35 | 12.50 | 6.18 |
| 2a | CH3 | 0.79 to 2.99 | 1.29 to 3.42 | 0.31 to 2.62 | C-Hc | 3.44 | 3.86 | 2.84 | COOH | 6.09, 6.30 | 6.431, 6.64 | 6.49 | -H | 5.18 to 6.09 | 5.55 to 6.43 | 5.25 to 8.10 | C4-H | 7.47 | 7.77 | | NH | 14.12 | 14.22 | |
| 3a | CH3 | 1.15 to 3.4373 | 1.63 to 3.86 | 1.19 to 2.5 | C-Hc | 3.58 | 3.99 | 2.85 | -H | 5.13 to 5.28 | 5.50 to 5.64 | 4.59 to 5.99 | CH2 | 5.49, 5.55 | 5.84, 5.91 | 6.22 | C4-H | 6.26, 6.27 | 6.59, 6.60 | 6.46, 6.50 |
| 4a | CH3 | 1.06 to 3.48 | 1.55 to 3.90 | 1.25 to 2.55 | C-Hc | 3.71 | 4.13 | 2.80 | C4-H | 6.18, 6.33 | 6.52, 6.66 | 6.18 | -H | 5.12 to 6.33 | 5.49 to 6.66 | 5.25 to 6.25 | COOH | 7.00 | 7.31 | 7.2 | CHOO | 8.14 | 8.41 | 8.15 |
| 5a | CH3 | 0.12 to 2.67 | 0.64 to 3.11 | 0.89 to 4.59 | C-Hc | 2.86 | 3.30 | 2.24 | CHOO | 6.61 | 6.94 | 6.88 | COOH | 7.35 | 7.65 | 7.74 | C4-H | 6.48, 6.52 | 6.81, 6.84 | 6.76 | -H | 3.96 to 8.17 | 4.36 to 8.45 | 3.89 to 8.24 |
| 6 | CH3 | 0.36 to 3.20 | 0.87 to 3.63 | 0.85 to 2.27 | C-Hc | 2.02 | 2.49 | 2.80 | C4-H | 4.99 to 8.40 | 5.37 to 8.67 | 5.50 to 5.90 | -H | 6.75, 6.91 | 7.07, 7.22 | 5.71, 5.72 |
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