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. 2019 Jul 29;5(7):e02149. doi: 10.1016/j.heliyon.2019.e02149

Table 5.

The calculated and experimental UV-visible parameters of 2A3M5NP molecule.

Experimental Wavelength λ (nm) in ethanol Transition Calculated with B3LYP/cc-pVTZ level in ethanol
λ max (nm) Excitation energy (eV) f (Oscillator strength)
220 π → π* 253.62 4.8886 0.1814
345 n → π* 350.03 3.5421 0.3545