Table 1.
Optical and electrochemical properties of 1–4 in comparison to other compounds in the literature.
| compound |
λmaxsol [nm]a |
εmaxsol [mol−1·L·cm−1]b |
λmaxfilm [nm] |
Egopt [eV]c |
E0ox [V]d |
E0red [V]d,e |
EHOMO [eV]f |
ELUMO [eV]f |
Egcv [eV]g |
ref. |
| 1 | 440 (498)h | 64,500 | 580 (547)h | 1.94 | 0.66 | −1.53 | −5.68 (−5.38)i | −3.65 (−3.35)i | 2.03 | [20] |
| 2 | 494 | 68,800 | 558 (602)h | 1.86 | 0.50 | −1.62 | −5.52 (−5.22)i | −3.56 (−3.26)i | 1.96 | this work |
| 3 | 491 | 80,700 | 576 (625)h | 1.82 | 0.42 | −1.63 | −5.43 (−5.13)i | −3.55 (−3.25)i | 1.88 | this work |
| 4 | 485 | 93,900 | 570 (614)h | 1.82 | 0.32 | −1.64 | −5.35 (−5.05)i | −3.53 (−3.23)i | 1.82 | this work |
| DCAO3TBDT | 494 | 72,000 | 560 | 1.84 | — | — | −5.04i | −3.24i | 1.80 | [23] |
| TBDTCNR | 488 | — | 578 | 1.75 | — | — | −5.40i | −3.63i | 1.77 | [21] |
aIn CHCl3 (5.0 × 10−5 mol·L−1); bextinction coefficient was obtained by linearly fitting the absorbance as a function of the concentration; coptical band gap, calculated from the absorption onset wavelength (λonset) in solid films according to the equation Egopt (eV) = 1240/λonset (nm); dmeasured in CHCl3 solution (1.0 × 10−3 mol·L−1); eirreversible wave: E0red was estimated as the potential where ipc = 0.855 × ipcmax; fcalculated from the cyclic voltammograms, EHOMO = −[Eoxonset + 5.1] (eV), ELUMO = −[Eredonset + 5.1] (eV); gelectrochemical band gap Egcv= EHOMO − ELUMO = −[Eoxonset − Eredonset] (eV); hshoulder peak; icalculated from the cyclic voltammograms, EHOMO = −[Eoxonset + 4.8] (eV), ELUMO = −[Eredonset + 4.8] (eV).