Table 3. Quantum Chemical Parameters.
| parameters | 5Cl-BTA |
|---|---|
| EHOMO, eV | –9.9580 |
| ELUMO, eV | –3.6716 |
| ΔE, eV | 6.2864 |
| I, eV | 9.9580 |
| A, eV | 3.6716 |
| χ, eV | 6.8148 |
| η, eV | 3.1432 |
| ΔN | –0.371 |
| μ, D | 3.7439 |
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