Table 1. Optical, Electrochemical, and Thermal Properties of All Compounds.
| s. no. | λabsa (nm) | λemb (nm) | HOMOc (eV) | LUMOc (eV) | Egd (eV) | ETe (eV) | Tmf (°C) | T5dg (°C) |
|---|---|---|---|---|---|---|---|---|
| Py-03 | 242/280/345 | 469/408 | –5.63 | –2.35 | 3.28 | 2.49 | 190 | 357 |
| Py-MeO | 242/280/344 | 469/404 | –5.61 | –2.33 | 3.28 | 2.46 | 200 | 355 |
| Py-Me | 242/280/344 | 464/408 | –5.63 | –2.33 | 3.30 | 2.45 | 210 | 367 |
| Py-Br | 242/280/344 | 478/412 | –5.65 | –2.39 | 3.26 | 2.62 | 245 | 249 |
a
Measured in dichloromethane (DCM) at room temperature.
b
Measured in the solid state and solution phase.
c
Measured from oxidation onset of CV and LUMO energy levels were estimated from HOMO levels and Eg.
d
Eg was determined from the absorption onset.
e
ET (triplet energy) was calculated from the onset of the phosphorescence spectrum at 77 K.
f
Determined from DSC (Tm is the melting temperature).
g
Estimated from a thermogravimetric analyzer (T5d with a 5% weight loss).