A comparative study of DFT calculated and experimental UV/Visible spectra for thirty carboline and carbazole based compounds

A comparative study of UV/Visible spectra of carboline and carbazole derivatives was conducted by employing the Density Functional Theory (DFT) approach. CAM-B3LYP/6-31G and WB97XD/DGDZVP combination were found to have close agreement with the experimental values of β-carboline derivatives and carbazole derivatives respectively.253