Optical properties of thiazole fused S,N-heteroacene monomers 7b and 8b determined by UV-vis absorption and emission spectroscopy.
| S,N-Heteroacene | λ max (Abs)a [nm] | λ max (Em)a [nm] | Stokes shift (ΔEs)b [cm−1] | Egoptc [eV] | E HOMO d [eV] | E LUMO d [eV] |
|---|---|---|---|---|---|---|
| SN6 | 380 | 411 | 898 | 3.15 | −4.85 | −1.24 |
| SN6-Tz (7b) | 390 | 425 | 2111 | 3.03 | −5.19 | −1.58 |
| SN9 | — | — | — | — | −4.66 | −1.53 |
| SN9-Tz (8b) | 436 | 451 | 762 | 2.70 | −4.85 | −1.76 |
a
Measured in CHCl3.
b
Stokes shift-difference between the 0–0 vibronic transitions of the absorption and emission spectra.
c
Calculated from the low-energy onset of the absorption band.
d
Determined by the DFT method.