Erdogdu, Y.Saglam, S.Dereli, O.2024-02-232024-02-2320150030-400X1562-6911https://doi.org/10.1134/S0030400X15090076https://hdl.handle.net/20.500.12452/14079An analysis of the results of the structural and spectroscopic studies of 7-Acetoxy-4-(bromomethyl) coumarin (7A4BMC) molecule were performed by FT-IR, FT-Raman, FT-NMR and quantum chemical calculations. The FT-IR and FT-Raman spectra of 7A4BMC were recorded in the 400-4000 and 50-3500 cm(-1) region, respectively. The molecular conformations of 7A4BMC were computed at the B3LYP/6-311++G(d,p) level of theory. Molecular structure and spectral calculations were calculated by means of B3LYP with 6-311++G(d,p), cc-pVDZ and cc-pVTZ basis sets. The whole vibrational characteristics of the 7A4BMC molecule are given.eninfo:eu-repo/semantics/closedAccess[Keyword Not Available]Article11934114232-s2.0-84941949102Q4WOS:000361493300012Q410.1134/S0030400X15090076