Abstract

In the paper, the influence of solvents on the vibrational spectrum of acrolein will be investigated using ab initio calculations by program Gaussian 98 at 6-31+G(d) level with model Onsager SCRF = Dipole. It was found that these results of the calculation can explain parently the shifts of bands due to the polarizability especially for v(C=0), v(C=C) stretching ones. The FT-Raman spectrum of acrolein has also been recorded for comparison.