Table 5.
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 |
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 |