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The Use of Fourier Deconvolution in Infrared Spectroscopy. Part I: Studies with Synthetic Single-Peak Systems

Volume 41, Number 8 (Dec. 1987) Page 1362-1370

James, D.I.; Maddams, W.F.; Tooke, P.B.

Studies with synthetic single-peak systems have provided information on a range of factors capable of limiting the utility of Fourier deconvolution for peak finding in vibrational spectra. The merits of six apodization functions for controlling Gibbs oscillations resulting from truncation and background effects have been determined. The triangular-sinc and triangular-squared functions are the most effective, and the Gaussian function is the least satisfactory. The presence of asymmetry and a degree of Gaussian character in the band shape should not prove a serious limitation for most qualitative and quantitative applications. The peak heights following deconvolution are linear functions of the resolution enhancement factor, K, the constant of proportionality being determined by the particular apodization function employed. By contrast, the areas of deconvoluted bands are sensibly independent of the apodization function. This factor opens the way to quantitative studies on deconvoluted band systems.