Abstract
Retention properties of two new high-performance liquid chromatographic (HPLC) stationary phases, polyethylene-coated silica (PECSiO2) and polyethylene-coated zirconia (PECZrO2), were compared chemometrically. Reversed phase HPLC capacity factors were determined isocratically for a carefully designed series of 25 structurally diverse solutes. Linear free energy relationship (LFER)-based solute parameters (excess molar refraction, dipolarity-polarizability, hydrogen-bond acidity and basicity, McGowan volume) and solute structural descriptors determined by physico-chemical methods (water accessible van der Waals volume, dipole moment, atomic electron excess charge) were regressed as independent variables against log capacity factors. The quantitative structure-retention relationships (QSRR) obtained show the predominating partition mechanism of separation on both phases. Both the LFER parameters and the structural parameters obtained by molecular modelling produced QSRR equations of high and practically identical retention prediction ability. It has been concluded that intermolecular interactions of the dipolarity-polarizability type manifest themselves more strongly on the silica-based phase than on the zirconia-based one. This can be due to a role of active free silanols on the silica support.
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