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The calculated electric dipole moments (Debye) and dipole moment components for complexes 1–4. (DFT/B3LYP levels in 6-31G (d,p) + lanl2dz basis set).
| Compounds | µx (Debye) | µy (Debye) | µz (Debye) | µtot (Debye) |
|---|---|---|---|---|
| 1 | 0.15 | 0.65 | − 4.48 | 4.53 |
| 2 | 0.03 | − 0.33 | 5.21 | 5.21 |
| 3 | 9.70 | 0.44 | 5.10 | 10.96 |
| 4 | 4.90 | − 3.50 | − 1.53 | 6.42 |
