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Quantum chemical descriptors of compounds L1 - L3.
| Parameters | L1 | L2 | L3 |
|---|---|---|---|
| EHOMO (eV) | −5.769 | −5.953 | −5.941 |
| ELUMO (eV) | −1.897 | −1.930 | −1.937 |
| ΔE (eV) | 3.872 | 4.023 | 4.004 |
| η (eV) | 1.936 | 2.012 | 2.002 |
| S (eV−1) | 0.258 | 0.249 | 0.250 |
| IP (eV) | 5.769 | 5.953 | 5.941 |
| A (eV) | 1.897 | 1.930 | 1.937 |
| χ (eV) | −3.833 | −3.941 | −3.939 |
| ω (eV) | 3.794 | 3.861 | 3.875 |
