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

Volume 51, Number 3 (March 1997) Page 407-415

Vacque, V.; Dupuy, N.; Sombret, B.; Huvenne, J.P.; Legrand, P.


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.