Vibrational relaxation study of CO stretching mode of liquid N,N-dimethylformamide: Comparative study with theoretical calculation

• Raman band of CO stretching mode of DMF was studied using polar and nonpolar solvents.
• Experimental results have been compared with the theoretical calculated values using HF/6-31G(d) method.
• Variation of Raman bandwidth and peak frequency with solvent concentration was discussed.
• Role of vibrational relaxation time in binary mixtures has been studied.
• Hydrogen bond formation between solute and solvent molecules has major contribution to the change in Raman bandshape.

The study reports to the bandshape analysis of CO stretching band of liquid N,N-dimethylformamide using various polar and non-polar solvents. The changes in bandwidths and anisotropy shift have been explained for neat liquid as well as binary mixtures using different solvents. The vibrational relaxation rates were correlated with different solvent concentrations to understand interacting nature of molecules. Ab initio calculation is carried out to give a complete picture of the molecule and vibrational spectra. The calculated characteristics of DMF are in good agreement with experimental values, allowing them to be used in spectral and structural analysis.