FT-IR, FT-Raman and DFT calculations of 4-chloro-2-(3,4-dichlorophenylcarbamoyl)phenyl acetate

Abstrakt

FT-IR and FT-Raman spectra of 4-chloro-2-(3,4-dichlorophenylcarbamoyl)phenyl acetate were recorded and analyzed. Synthesis and elemental analysis are also reported.

The vibrational wavenumbers of the compound have been computed on the basis of density functional theory using B3LYP/6-31G* basis set. The predicted infrared intensities and Raman activities are reported.

Klíčová slova

• salicylanilide
• acetate
• carbamoyl
• FT-IR
• FT-Raman
• DFT calculations