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The HL and its complexes' estimated quantitative chemical properties.
| Comp. | –EHOMO(eV) | –ELUMO(eV) | ΔE (eV) | χ (eV) | η (eV) | σ (eV)−1 | –Pi (eV) | S (eV)−1 | ω (eV) | ΔNmax (eV) |
|---|---|---|---|---|---|---|---|---|---|---|
| HL | 4.924 | 2.238 | 2.686 | 3.581 | 1.343 | 0.745 | 3.581 | 0.372 | 4.774 | 2.666 |
| (1) | 4.450 | 2.337 | 2.113 | 3.394 | 1.057 | 0.947 | 3.394 | 0.473 | 5.450 | 3.212 |
| (2) | 4.471 | 2.392 | 2.079 | 3.432 | 1.040 | 0.962 | 3.432 | 0.481 | 5.664 | 3.301 |
| (3) | 4.177 | 2.428 | 1.749 | 3.303 | 0.875 | 1.144 | 3.303 | 0.572 | 6.236 | 3.776 |
