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. 2020 Apr 4;25(7):1671. doi: 10.3390/molecules25071671

Table 1.

Predicted properties: maximum of absorption (λ max), computed by molecular modeling, compared to experimental findings; molar extinction coefficient (ε395 nm) measured in acetonitrile at 395 nm, and quantum yield of photolysis (ϕ) in acetonitrile.

Molecular Modeling Experimental Data
Molecules λ max (nm) (Oscillator Strength) ε395 nm (L/mol/cm) ϕ
TPO-L 383 (0.0005) 131 0,3 [5]
BAPO 384 (0.0006) 664 0,6 [22]
CPO-1 384 (0.007) 5600 0,7
CPO-2 385 (0.007) 3200 0,8