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Evaluation of Octadecene–Polybutadiene‐Coated Zirconia Stationary Phase Based on Linear Solvation Energy Relationships

Abstract A linear solvation energy relationships model is used to evaluate the retention behavior of a stationary phase based upon octadecene–polybutadiene–coated zirconia (C18–PBD–ZrO2) in reverse‐phase liquid chromatography (RPLC). The logarithmic capacity factors of 29 solutes measured on C18–PBD–ZrO2 [log k′(C18–PBD–ZrO2)] in acetonitrile–water (50:50, v/v) mobile phase vs. the solute's five interaction descriptors, the McGowan characteristic molar volume (V 2), dipolarity/polarizability (π2 *), effective or overall hydrogen bond donor acidity (Σα2 H), hydrogen bond acceptor basicity (Σβ2 H), and excess molar refraction (R 2) are analyzed by multiple regression analysis and compared to other zirconia based stationary phases, and octadecyl‐bonded silica (ODS). Through the principal component analysis (PCA), we found the descriptors, V 2, π2 * and Σβ2 H are the most important parameters governing the retention, as they represent more than 85.91% of the log k′ variation. Finally, we came to the conclusion that the retention of C18–PBD–ZrO2 is a partition‐like process.