Table 1. Calculated IR Values (in cm–1) for the Cu(II) Complexes in Methanol at the SMD/B3LYP/6-31+G(d) Level of Theory.
ν(C=N) | ν(C–O) | ν(Cu–O) | ν(Cu–N) | ν(C=C) | ν(C–H) | ν(O–H) | |
---|---|---|---|---|---|---|---|
1 | 1572.02–1552.34 | 1292.28–1283.72 | 455.01–436.16 | 408.47 | 1612.02–1589.71 | 3221.64–3217.07 | 3708.86–3708.35 |
2 | 1575.48–1562.37 | 1299.36–1296.15 | 442.35 | 430.36 | 1612.48–1579.71 | 3221.90–3213.60 | 3716.71–3706.91 |
3 | 1577.77–1565.65 | 1281.07–1275.39 | 468.68 | 411.82 | 1614.83–1588.56 | 3226.14–3221.38 | 3722.35–3710.83 |