FT-IR, FT-Raman, and computational calculations of 4-chloro-2-(3-chlorophenyl carbamoyl)phenyl acetate

Abstrakt

FT-IR and FT-Raman spectra of 4-chloro-2-(3-chlorophenylcarbamoyl) phenyl acetate were studied. Vibrational wavenumbers and corresponding vibrational assignments were examined theoretically using the Gaussian03 set of quantum chemistry codes and the normal modes are assigned by potential energy distribution (PED) calculations.

Optimized geometrical parameters of the title compound are in agreement with the reported values.

Klíčová slova

• salicylanilide
• acetate
• carbamoyl
• FT-IR spectra
• FT-Raman spectra
• DFT and PED calculations