Research Article
Synthesis and Characterization of Bis(4-methylbenzylammonium) Tetrachloridocadmate(II)
Table 5
Calculated and experimental 13C chemical shifts in the studied compound.
| Atom | No optimization | Optimization of all atoms | Optimization of protons | Experimental |
| C1 | 122.8 | 134.9 | 128.9 | 130.0 | C2 | 121.2 | 126.7 | 122.9 | 128.3 | C3 | 125.8 | 134.9 | 131.9 | 130.0 | C4 | 132 | 140.5 | 137.7 | 131.8 | C5 | 156.9 | 159.8 | 155.7 | 137.4 | C6 | 131.7 | 140.5 | 137.5 | 131.8 | C7 | 27.4 | 59.9 | 45.2 | 44.3 | C9 | 0.8 | 24 | 23.8 | 22.2 |
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