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On the Analysis of Raman Spectra by Curve Resolution

Volume 31, Number 5 (Oct. 1977) Page 451-455

Gans, Peter; Gill, J. Bernard

Raman spectra obtained during studies of solution equilibria are subjected to analysis using a combination of a small, manually controlled, digital minicomputer and a large digital computer. The shape-function of the bands is regarded as an empirical parameter, and the majority of bands are found to have Lorentzian shape. Simultaneous determination of shape-function and curved baseline is shown to be unsatisfactory. The possibility that components of a multiplet have different shape-functions is considered, and a probable example of such a case is given. Finally, it is shown that the v3 region of the Raman spectrum of sodium nitrate in liquid ammonia probably contains three component bands, but uncertainty regarding shape-function introduces large uncertainty into the areas and positions of the bands.