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