Study of Complexation in Methanol/Water Mixtures by Infrared and Raman Spectroscopy and Multivariate Curve Resolution—Alternating Least-Squares Analysis

Author:

Holden Carol A.1,Hunnicutt Sally S.1,Sánchez-Ponce Raymundo1,Craig John M.1,Rutan Sarah C.1

Affiliation:

1. Department of Chemistry, Virginia Commonwealth University, P.O. Box 842006 Richmond, Virginia 23284-2006

Abstract

The structure of the mobile phase in liquid chromatography plays an important role in the determination of retention behavior on reversed-phase stationary materials. One of the most commonly employed mobile phases is a mixture of methanol and water. In this work, infrared and Raman spectroscopic methods were used to investigate the structure of species formed in methanol/water mixtures. Chemometric methods using multivariate curve resolution by alternating least-squares analysis were used to resolve the overlapped spectra and to determine concentration profiles as a function of composition. The results showed that the structure of these mixtures could be described by a mixture model consisting of four species, namely, methanol, water, and two complexes, methanol/water (1:1) and methanol/water (1:4). The spectral frequencies and concentration profiles found from the Raman and infrared measurements were consistent with one another and with theoretical calculations.

Publisher

SAGE Publications

Subject

Spectroscopy,Instrumentation

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