Table 6.
Opt. BG[a]
[eV] |
λmax
[b]
[nm] |
ET
[c]
[eV] |
HOMO[d]
[eV] |
LUMO[d]
[eV] |
|
---|---|---|---|---|---|
ICz | 3.30 | 375 | 2.84 | −5.78 | −2.27 |
1NICz | 3.10 | 407 | 2.79 | −6.22 | −2.68 |
2NICz | 3.33 | 375 | 2.90 | −6.28 | −2.43 |
4NICz | 3.30 | 375 | 2.80 | −6.22 | −2.57 |
5NICz | 3.45 | 354 | 2.84 | −6.32 | −2.42 |
6NICz | 3.21 | 384 | 2.78 | −6.23 | −2.62 |
7NICz | 3.38 | 364 | 2.82 | −6.00 | −2.46 |
1,4NICz | 3.10 | 410 | 2.72 | −6.28 | −2.84 |
2,5NICz | 3.51 | 361 | 2.89 | −6.48 | −2.58 |
1,10NICz | 3.03 | 416 | 2.72 | −6.31 | −2.85 |
4,12NICz | 3.37 | 392 | 2.81 | −6.35 | −2.70 |
5,11NICz | 3.56 | 345 | 2.87 | −6.42 | −2.54 |
6,10NICz | 3.18 | 387 | 2.84 | −6.44 | −2.75 |
[a] Optical band gap determined from the absorption onset measured in CH2Cl2 solutions (5 μm) at room temperature. [b] Emission maximum measured in CH2Cl2solutions (5 μm) at room temperature. [c] Determined from the highest vibronic transition in solid solutions of toluene/EtOH (9:1; 0.5 mg mL−1) at 77 K. [d] Calculated from the onset of the oxidation and reduction peak observed during cyclic voltammetry.