Molecule | HOMO (eV) | LUMO (eV) | Eg (eV) | µ (D) |
Monomer (FA) | −6.51 | −1.99 | 4.52 | 2.26 |
2-Oligomer (FA) | −6.22 | −2.05 | 4.17 | 2.14 |
3-Oligomer (FA) | −6.08 | −1.90 | 4.18 | 3.12 |
4-Oligomer (FA) | −5.93 | −1.72 | 4.21 | 2.42 |
5-Oligomer (FA) | −5.88 | −1.94 | 3.94 | 1.72 |
6-Oligomer (FA) | −5.95 | −1.74 | 4.21 | 1.98 |
7-Oligomer (FA) | −5.79 | −1.83 | 3.96 | 2.87 |
8-Oligomer (FA) | −5.93 | −1.88 | 4.05 | 1.87 |
Dye | −5.10 | −2.50 | 2.60 | 3.35 |
Dye-dimer | −3.48 | −2.76 | 0.72 | 3.12 |
8-oligomer + dye | −4.61 | −3.86 | 0.75 | 12.10 |