Table 2. Optical, Electrochemical, and Hole Mobility Data for Dibenzo[f,h]furazano[3,4-b]quinoxalines.
| compound | Eredonseta (V) | EHOMOb/EHOMOc (eV) | ELUMOb,d/ELUMOc,d (eV) | Egoptb/Egoptc (±0.03 eV) | Absorptionb λmax (nm)/ε (103 M–1 cm–1) | hole mobilityc (10–5 cm2 V–1 s–1) (CIe 95%) | dipole momentf (D) |
|---|---|---|---|---|---|---|---|
| 7a | –0.81 | –7.15/–5.61 | –4.29/–3.01 | 2.86/2.60 | 387/12.95 | 12.7 ± 1.5 | 6.81 |
| 305/21.35 | |||||||
| 294/13.52 | |||||||
| 267/19.20 | |||||||
| 7b | –0.83 | –7.12/–5.23 | –4.27/–2.68 | 2.85/2.55 | 389/14.21 | 2.5 ± 0.5 | 6.87 |
| 308/21.46 | |||||||
| 297/15.73 | |||||||
| 275/25.02 | |||||||
| 7c | –0.93 | –6.74/–5.24 | –4.17/–3.04 | 2.57/2.20 | 412/13.80 | 5.1 ± 0.4 | 8.62 |
| 311/15.98 | |||||||
| 279/29.98 | |||||||
| 253/49.20 | |||||||
| 7d | –0.75 | –7.11/–5.23 | –4.35/–2.99 | 2.76/2.24 | 395/12.43 | 16.0 ± 4.0 | 5.43 |
| 304/20.16 | |||||||
| 293/12.97 | |||||||
| 7e | –0.80 | –7.16/–5.27 | –4.30/–2.72 | 2.86/2.55 | 386/14.73 | 13.3 ± 1.6 | 5.57 |
| 303/20.52 | |||||||
| 292/13.24 | |||||||
| 275/22.76 | |||||||
| 7f | –0.75 | –7.25/–5.25 | –4.35/–2.80 | 2.90/2.45 | 384/11.85 | 2.4 ± 0.4 | 6.77 |
| 307/26.34 | |||||||
| 296/16.82 | |||||||
| 271/18.09 | |||||||
| 7h | –0.78 | –7.18/–5.27 | –4.32/–2.87 | 2.87/2.40 | 384/14.54 | 3.5 ± 1.6 | 6.57 |
| 301/16.47 | |||||||
| 290/11.49 | |||||||
| 267/21.02 |
Eredonset, onset of reduction potential (vs Ag/AgCl reference electrode).
Parameters measured in solutions at room temperature at C = 1.0 × 10–5 M (for optical) and C = 5.0 × 10–3 M (for electrochemical).
Parameters measured for solid films at room temperature.
ELUMO = EHOMO – Egopt.
Confidence interval calculated from 10 replicates.
DFT calculation data.