Analysis of the infrared absorption spectra of solutions of water in some organic solvents. Part 1.—Resolution of overlapping absorption bands

Abstract

An efficient approach to the resolution of infrared band envelopes into their component bands is described. The procedure involves first determining the number of component bands, using the factor analysis technique of Bulmer and Shurvell. The bands are then resolved by the methods of Pitha and Jones, and values for the wavenumbers, half-widths and intensities of the component bands extracted. The method is illustrated by the analysis of the spectra of water at high dilution in some ketone and ether solutions. The component bands are assigned to the vibrations of the hydrogen-bonded complexes present in these solutions, and the spectroscopic properties are rationalized in terms of the nature of the hydrogen-bonded interactions.