Raman non-coincidence effect of C ˭ O stretching modes of ethyl, butyl, and amyl acetate

Raman non-coincidence effect of the C ˭ O stretching mode of ethyl, butyl, and amyl acetate was studied. The Raman non-coincidence effect decreased when these liquids were dissolved in a non-polar carbon tetrachloride solvent. That is, it was determined that the structure-breaking effect is observed in this solution. Density functional theory (DFT) analysis was performed in order to further understand the Raman non-coincidence effect. DFT analysis of the dimers of the studied liquids strongly supported their isotropic and anisotropic Raman spectral properties. Topological analyses, such as non-covalent interaction and reduced density gradient, were performed in order to understand the nature of intermolecular interactions in these selected dimers.