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. 2022 Nov 1;87(22):15159–15165. doi: 10.1021/acs.joc.2c01660

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          
a

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).