Concentration dependence of the band profile parameters for the ν3(12C=O) Raman band of acetone in acetone–CCl4 binary mixtures: Experimental and Monte Carlo simulation results and their interpretation

The concentration dependence of specific band profile parameters, i.e., bandwidth and asymmetry, of the isotropic and anisotropic components of the ν3(12C=O) Raman band of acetone is investigated in the acetone–CCl4 binary mixtures. Emphasis is mainly placed upon the comparison of the results obtained from Monte Carlo simulations with the experimental results obtained by Raman spectroscopy. The results on the concentration dependence of the bandwidth are interpreted within the lineshape theory of Bratos and Tarjus, while the results on the concentration dependence of the band asymmetry are examined with the help of the theoretical predictions given by Knapp and by Knapp and Fischer. We have found a good qualitative agreement between all the results.