Self-Modeling Mixture Analysis Applied to FT-Raman Spectral Data of Hydrogen Peroxide Activation by Nitriles

In the analytical environment, spectral data resulting from analysis of samples often represent mixtures of several components. Extraction of information about pure components of these kinds of mixtures is a major problem, especially when reference spectra are not available or when unstable intermediates are formed. Self-modeling multivariate mixture analysis has been developed for this type of problem. In this paper two examples will be used to show the potential of this technique coupled with FT-Raman spectroscopy to elucidate reaction mechanisms and to follow in situ the kinetics of chemical transformations.