Abstract: Molecular structure and vibrational spectra of acetone, acetone-d3, and acetone-d6 were investigated by means of ab initio and density functional theory (DFT) calculations. The harmonic and anharmonic vibrational ...

The FTIR and Raman spectra of 1,1,1,3,3,3-hexachloroacetone (HCA) have been recorded. The observed frequencies were assigned to the various modes of vibrations on the basis of normal coordinate analysis, assuming C2 point ...