Rank | Compound | HOMO (eV) | LUMO (eV) | ΔE (eV) |
1 | 6 | −9.9813 | −0.3639 | 9.6174 |
2 | 5 | −8.8771 | −0.9404 | 7.9367 |
3 | 4 | −9.4930 | −0.1780 | 9.3150 |
4 | 3 | −9.3955 | −0.1076 | 9.2879 |
5 | 2 | −9.7155 | −0.1492 | 9.5663 |
6 | 1 | −9.5951 | −0.3767 | 9.2184 |