Author/Authors :
Engler، نويسنده , , Gernot and Nispel، نويسنده , , Michael and Marian، نويسنده , , Christel and Kleinermanns، نويسنده , , Karl، نويسنده ,
Abstract :
We reinvestigated the stationary singlet absorption spectrum of flavone and its transient triplet spectrum at excitation wavelengths of 266 and 355 nm in cyclohexane as solvent. The S0–Sn spectra obtained by Density Functional/Multi Reference Configuration Interaction (DFT/MRCI) calculations agree well with experiment. The calculated intense T1–Tn transitions qualitatively reproduce the experimental band maxima observed at ∼330, 365 and 600 nm in cyclohexane.
