Table 1.
Compound |
λmax,abs [nm][a] |
λmax,em [nm][b] |
Stokes Shift [cm−1] |
QY [%][c] |
λonset,abs [nm] |
Eg(opt) [eV][d] |
Eg(calc) [eV][e] |
---|---|---|---|---|---|---|---|
2 a |
424/424[f]/424[g] |
454/451[f]/443[g]/483[h] |
1558/1412[f]/1012[g] |
79/76[f]/57[g] |
446 |
2.78 |
3.48 |
2 b |
432 |
464 |
1596 |
70 |
458 |
2.71 |
‐ |
2 c |
425 |
454 |
1503 |
90 |
446 |
2.78 |
‐ |
2 d |
428 |
460 |
1625 |
72 |
451 |
2.75 |
‐ |
2 e |
432 |
463 |
1550 |
42 |
461 |
2.69 |
‐ |
2 f |
403/402[f]/405[g] |
–[i]/–[f],[i]/482[g]/–[h],[i] |
3944[g] |
8[g] |
526 |
2.36 |
2.70 |
2 g |
436 |
471 |
1704 |
37 |
462 |
2.68 |
‐ |
2 h |
418 |
443 |
1350 |
52 |
438 |
2.83 |
3.50 |
2 i |
425 |
453 |
1454 |
68 |
449 |
2.76 |
‐ |
2 j |
426 |
454 |
1448 |
85 |
450 |
2.76 |
‐ |
2 k |
423 |
451 |
1468 |
70 |
446 |
2.78 |
‐ |
2 l |
424 |
446 |
1163 |
58 |
447 |
2.77 |
‐ |
2 m |
427 |
478 |
2499 |
69 |
458 |
2.71 |
‐ |
2 n |
425 |
458 |
1695 |
60 |
449 |
2.76 |
‐ |
2 o |
440 |
469 |
1405 |
72 |
463 |
2.68 |
3.38 |
2 p |
443 |
474 |
1476 |
77 |
468 |
2.65 |
‐ |
2 q |
434 |
459 |
1255 |
75 |
456 |
2.72 |
‐ |
2 r |
417 |
433 |
886 |
74 |
433 |
2.86 |
3.60 |
4 |
447 |
473 |
1230 |
34 |
469 |
2.64 |
‐ |
6 |
436 |
543 |
4520 |
38 |
506 |
2.45 |
2.96 |
8 |
423 |
471 |
2409 |
66 |
455 |
2.72 |
3.17 |
12 |
407 |
487 |
4036 |
40 |
460 |
2.70 |
3.41 |
[a] Maximum of the longest absorption wavelength. [b] Maximum of the shortest emission wavelength. [c] Fluorescence quantum yield. [d] Optical gap estimated from λonset,abs: Eg(opt)=1239.8/λonset,abs. [e] HOMO‐LUMO gap values computed by DFT, see Supporting Information. [f] In 1,4‐dioxane. [g] In cyclohexane. [h] As powder. [i] No fluorescence observed.