E gap, excitation energy (Ex), and exciton binding energy (Eb) of IDR and ID1–ID7 in eV.
| Molecule | E gap | E x | E b | 
|---|---|---|---|
| IDR | 2.24 | 1.89 | 0.34 | 
| ID1 | 2.11 | 1.76 | 0.34 | 
| ID2 | 2.19 | 1.84 | 0.35 | 
| ID3 | 2.16 | 1.81 | 0.35 | 
| ID4 | 2.16 | 1.84 | 0.32 | 
| ID5 | 2.37 | 2.03 | 0.34 | 
| ID6 | 2.09 | 1.70 | 0.39 | 
| ID7 | 2.23 | 1.83 | 0.40 |