Abstract

This report demonstrates the feasibility of discriminating organic solvents on the basis of short-wave near-infrared spectra (from 0.7 to 1.1 μm). Both library searching and multivariate statistical methods were applied to 8-cm^-1 spectra and to spectra de-resolved to the point achievable with an analyzer using discrete infrared-emitting diode sources. Library searching performed satisfactorily if the unknown and library spectra were collected under reasonably similar conditions, but performed poorly if the temperature of hydrogen-bonding solvents was varied. A multivariate discrimination technique based on Mahalanobis distance computation was capable of discriminating between several alcohols while allowing for a temperature variation of 20°C. These results indicate that a very low resolution (on the order of 100 cm^-1) short-wave near-infrared analyzer can achieve successful discrimination between similar solvents under variable conditions.

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