Table 2. Physical Properties of Divanillin-Based Polyazomethines.
| polyazomethine | HOMO [eV]a | LUMO [eV]a | Egelec [eV]b | Egopt [eV]c | HOMOd | LUMOd | EGd |
|---|---|---|---|---|---|---|---|
| P1A | –5.21 | –2.36 | 2.85 | 3.02 | –5.500 | –1.911 | 3.58 |
| P2 | –5.18 | –2.50 | 2.68 | 2.85 | –5.203 | –1.808 | 3.39 |
a
Estimated from the oxidation and reduction potentials measured by cyclic voltammetry in CH2Cl2 solution.
b
Calculated by the difference between oxidation and reduction potentials.
c
Calculated by the Tauc method.
d
Calculated by B3LYP/6-31(d,p) level of theory.