Density functional theory Raman spectra of cyclic selenium clusters Sen (n = 5-12)

► We simulated Raman spectra of cyclic selenium clusters Sen (n = 5-12). ► The DFT-B3LYP level with Dunning's correlation-consistent basis sets were used. ► The calculated Raman spectra of Se6, Se8 and Se12 were compared with experiment. ► Spectral profiles useful to discriminate the investigated clusters were identified.