Table 2. Energy of the HOMO and LUMO Levels Calculated from CVA Data (Figure 7) and Calculated with DFT (Tables S1 and S3).
| HOMO
(eV) |
LUMO
(eV) |
|||
|---|---|---|---|---|
| dye | CVA | DFT | CVA | DFT |
| CuTFP | –4.93 | –5.07 | –3.24 | –2.59 |
| CuTPP | –5.21 | –5.15 | –3.07 | –2.60 |
| HOMO
(eV) |
LUMO
(eV) |
|||
|---|---|---|---|---|
| dye | CVA | DFT | CVA | DFT |
| CuTFP | –4.93 | –5.07 | –3.24 | –2.59 |
| CuTPP | –5.21 | –5.15 | –3.07 | –2.60 |