Research data for journal article: On the correlatability of thermodynamic and spectroscopic ideal and real behaviour: Excess Gibbs energy vs Raman spectra

With this data it was investigated whether Raman spectra of binary mixtures can be linked to thermodynamic properties such as the molar excess Gibbs energy and activity coefficients. No correlation between excess molar or partial molar Raman intensities and these thermodynamic parameters was found, and it was shown that peak shifts do not necessarily indicate deviations from ideal mixture behaviour.

Details on the Voigt modelling procedure can be found in the Supporting Information of the related journal article.