The FT - Raman spectra of 3 - phenyl - 2 - (4' - selenomorpholinyl) - 5 - phenylvinyl- 4H - imidazoline - 4 - one derivates were recorded and their ground - state geometries, electronic structures and vibrational spectra were studied by DFT- B3LYP and ab initio RHF method with 6 -31G (d) basis sets. All five highest occupied molecular orbital (HOMO) orbital have pi - orbital character with the exception of HOMO - 1, which has mainly contribution of Pz orbital of Se atom and has non- bond orbital character. The scaled vibrational wavenumb...