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. 2020 Feb 12;5(7):3774–3785. doi: 10.1021/acsomega.0c00136

Table 1. Quantum Yield, Lifetime of the Excited State, Rate Constant of Nonradiative and Radiative Decay of Solid Samples, and TD-DFT Calculated Absorption Maxima and Oscillator Strengths.

            TD-DFT calculated
complex observed emission wavelength (nm) quantum yield (ΦF)a lifetime for the excited state, τ (ns) knr (107 s–1) kr (107 s–1) λmax (nm) oscillator strength (f)
1 437 0.0414 3.788 25.30 1.093 340 0.0003
2 438 0.0261 3.554 27.40 0.734 383 0.0095
3 434 0.0148 3.025 32.57 0.489 332 0.0002
4 439 0.1356 3.506 24.65 3.867 392 0.0350
5 448 0.0056 3.780 26.30 0.148 326 0.0149
a

In each case, biexponential decay is observed, and only the higher lifetime relating AIE is shown here.