Calculation of thermodynamic characteristics of thiazole sorption from retention indices taking into consideration the nonadditivity of the energetic contributions of identical alkyl groups

Abstract

1. The dependence of the energy of the dispersion interaction of substituted thiazoles with a nonpolar stationary phase, Apiezon, on the position of the alkyl substituent in the ring has been demonstrated. 2. The greatest contribution to the energy of the dispersion interaction is made by alkyl substituents in position 5, and the smallest by those in position 2 of the thiazole ring. 3. The possibility has been demonstrated of calculating the thermodynamic characteristics of the sorption of substituted thiazols, and of predicting retention indices by incorporating the deficit of the energy contributions of alkyl groups in positions 2 and 4.