FT-IR, FT-Raman and DFT calculations of 4-chloro-2-(3,4-dichlorophenylcarbamoyl)phenyl acetate.
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.
Madhavan
V S
VS
Department of Physics, MES Ponnani College, Ponnani South, Malappuram, Kerala, India.
Varghese
Hema Tresa
HT
Mathew
Samuel
S
Vinsova
Jarmila
J
Panicker
C Yohannan
CY
D002219:Carbamates / Q000737:chemistry; D008958:Models, Molecular; D010648:Phenylacetates / Q000737:chemistry*; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*; D013059:Spectrum Analysis, Raman / Q000379:methods*; D014732:Vibration
C539453:4-chloro-2-(3,4-dichlorophenylcarbamoyl)phenyl acetate; D002219:Carbamates; D010648:Phenylacetates; C025136:phenylacetic acid