Skip to main content
. 2020 Apr 28;5(18):10586–10595. doi: 10.1021/acsomega.0c01087

Table 2. Theoretical Emission Properties of 3a, 3b, 3c, and FL at 298 K.

298 K kica kfb kISC (S1 → T1)c kISC (T1 → S0)d kpe ΦT (%)f
FL 9.61 × 108 5.50 × 107 4.79 × 102 4.99 × 102 1.42 × 10–1 4.71 × 10–5
3a 6.61 × 1011 8.78 × 106 1.77 × 107 4.74 × 106 1.28 × 10–1 2.68 × 10–3
3b 6.43 × 1011 1.06 × 107 8.58 × 106 2.17 × 106 1.68 × 10–1 1.33 × 10–3
3c 4.04 × 109 2.20 × 107 2.43 × 105 1.12 × 104 3.38 × 10–1 5.98 × 10–3
a

Rate constant for nonemissive decay by internal conversion from S1 to S0 in s–1.

b

Fluorescent emission rate constant in s–1.

c

ISC rate constant from S1 to T1 in s–1.

d

ISC rate constant from T1 to S0 in s–1.

e

Phosphorescent emission rate constant in s–1.

f

Triplet quantum yield in percentage, calculated as kISC(S1 → T1)/(kic + kf + kISC(S1 → T1)) × 100%.