Erdogdu, Y.Gulluoglu, M. T.Yurdakul, S.Dereli, O.2020-03-262020-03-2620120030-400X1562-6911https://dx.doi.org/10.1134/S0030400X12070089https://hdl.handle.net/20.500.12395/27911The FT-IR, FT-Raman and FT-NMR spectra of the compound 4-(4-Chlorophenyl)-1H-imidazole (4-ClPI) was recorded and analyzed. Density functional method has been used to compute optimized geometry, vibrational wavenumbers and NMR spectra of the 4-ClPI. Only one tautomeric form was found most stable by using B3LYP functional with the 6-311++G(d,p) as basis sets. The detailed interpretation of the vibrational spectra was carried out with the aid of total energy distribution (TED) following the scaled quantum mechanical force field methodology.en10.1134/S0030400X12070089info:eu-repo/semantics/closedAccessArticle11312332Q4WOS:000306954000005Q4