Skip to main content
. 2020 Mar 30;5(14):8200–8210. doi: 10.1021/acsomega.0c00479

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
a

Eredonset, onset of reduction potential (vs Ag/AgCl reference electrode).

b

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).

c

Parameters measured for solid films at room temperature.

d

ELUMO = EHOMOEgopt.

e

Confidence interval calculated from 10 replicates.

f

DFT calculation data.