The complementary use of factor analysis and spectral deconvolution in a study of the CD3COOD–D2O system

Abstract

The carbonyl stretching region of fully deuterated acetic acid CD₃COOD in D₂O has been studied by means of Raman spectroscopy. The number of linearly independent spectral components was determined to be four by factor analysis. Fourier self-deconvolution of the spectra revealed another major component band which was assigned to an overtone and/or combination vibration of the acid monomer. The overall band envelope was fitted with five Gauss–Lorentz functions using a non-linear least squares procedure. The abnormally high intensity of the band assigned to the overtone/combination is discussed in terms of Fermi resonance.