Table 1. Summary of the Energies of the Experimentally Obtained HOMOs, E0–0, and LUMOs, Together with Calculated Energy Levels of the HOMOs and LUMOsa.
HTMs | HOMOs/eV | E0–0/eV | LUMOs/eV | calcd HOMOs/eV | calcd HOMO-1s/eV | calcd LUMOs/eV |
---|---|---|---|---|---|---|
Y1 | –5.43 | 2.26 | –3.17 | –4.74 | –4.73 | –1.86 |
Y2 | –5.38 | 2.34 | –3.04 | –4.72 | –4.79 | –1.91 |
Y3 | –5.38 | 2.44 | –2.94 | –4.73 | –4.75 | –1.93 |
Spiro-OMeTAD | –5.12 | 3.00 | –2.12 |
Energy levels are given vs vacuum.