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. 2016 Aug 10;12:1788–1797. doi: 10.3762/bjoc.12.169

Table 1.

Optical and electrochemical properties of 14 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= EHOMOELUMO = −[EoxonsetEredonset] (eV); hshoulder peak; icalculated from the cyclic voltammograms, EHOMO = −[Eoxonset + 4.8] (eV), ELUMO = −[Eredonset + 4.8] (eV).