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.

Keywords:

• Linear solvation energy relationships (LSERs)
• Octadecene‐polybutadiene‐coated zirconia (C₁₈–PBD–ZrO₂)
• Principal component analysis (PCA)

Acknowledgment

The authors hope to thank the National Natural Science Foundation Commission of China for financial support; project 20275018.