FT-IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-halogenated uracils (5-X-uracils; XÂ =Â F, Cl, Br, I)

Effect on molecular geometries, atomic polar tensor charges and vibrational frequencies of parent uracil molecule due to halogenations.