Table 1. Photophysical Properties of D in Various Solvents Measured at r.t. and Values Marked in Bold Were Calculated at the TD-DFT Levela.
| solvent | λabs [nm] | ϵ [M–1 cm–1] | λem [nm] | Stokes [cm–1] | FQY [%] | τ [ns] | kr [109 s–1] | knr [109 s–1] | χ2 |
|---|---|---|---|---|---|---|---|---|---|
| C6F6 | 420 | 20,290 | 490 | 3400 | 35.1 | 2.91 | 0.121 | 0.223 | 1.101 |
| C6F5Cl | 425 | 20,270 | 484 | 2870 | 39.8 | 2.97 | 0.134 | 0.203 | 1.042 |
| 382 | 437 | 3293 | |||||||
| C6F5Br | 425 | 20,330 | 493 | 3245 | 34.1 | 2.59 | 0.130 | 0.254 | 1.075 |
| 385 | 454 | 3938 | |||||||
| C6F5I | 430 | 20,620 | 539 | 4702 | 1.4 | 0.51 | 0.027 | 1.933 | 1.364 |
| 388 | 473 | 4623 |
The τ for C6F5I is the weighted average of two lifetimes, τ = 0.48 (α = 0.94) and τ = 1.01 ns (α = 0.06).