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. 2012 Mar 14;17(3):3259–3276. doi: 10.3390/molecules17033259

Table 3.

Calculated spectral properties of 3, 4 and 8, based on spectral data.

Comp./Medium ES1(kJ mol−1) f τ0(ns) τF-calc(ns) kF-calc(109 s−1) knr-calc(109 s−1)
3
MeOH 258 0.33 8.5 3.4 0.12 0.18
CHCl3 263 0.34 8.6 3.8 0.12 0.15
PMMA 261 0.31 9.3 7.5 0.11 0.03
PVC 258 0.46 6.5 7.0 0.15 -
PS 264 0.29 1.0 0.2 0.99 3.57
4
MeOH 256 0.34 8.3 5.3 0.12 0.07
CHCl3 259 0.45 6.2 3.0 0.16 0.17
PMMA 267 0.38 7.4 8.0 0.14 -
PVC 253 0.44 6.6 7.3 0.15 -
PS 265 0.51 5.5 1.4 0.18 0.54
8
MeOH 282 0.61 3.4 0.02 0.29 45.0
CHCl3 284 0.36 5.9 0.06 0.17 15.0
PMMA 285 0.25 8.5 2.51 0.12 0.3
PVC 283 0.47 4.6 1.32 0.22 0.5
PS 285 0.29 7.3 0.43 0.14 2.2

ES1: energy of the singlet state S1 , as 11.96°104 / [( λA + λF )/2], i.e., from the intersection of the normalized fluorescence and absorption spectra, f: oscillator strength given as 4.32 ° 10−9ν1/2εmax, τ0: natural radiative lifetime of the excited singlet state, τF-calc: calculated fluorescence lifetime as τF-calc= τ0ΦF, kF-calc: calculated natural radiative decay rate constant for the excited singlet state as ΦFF-calc, knr-cal: calculated nonradiative decay rate constant for the excited singlet state as (1 − ΦF)/τF-calc.