Revisiting Shape Selectivity in Liquid Chromatography for Polycyclic Aromatic Hydrocarbons (PAHs) - Six-Ring and Seven-Ring Cata-condensed PAH Isomers of Molecular Mass 328 Da and 378 Da

Published

June 28, 2017

Author(s)

Jorge O. Ona Ruales, Lane C. Sander, Walter Brent Wilson, Stephen Wise

Abstract

The relationship of reversed-phase liquid chromatography retention on a polymeric C18 stationary phase and the shape of polycyclic aromatic hydrocarbons (PAHs) was investigated for three-ring to seven-ring cata-condensed isomers. We report the first reversed-phase LC separation for six-ring and seven-ring cata-condensed PAH isomers. Correlations of LC retention and shape parameters (length-to-breath ratio, L/B and thickness, T) were investigated for 2 three-ring (molecular mass 178), 5 four-ring isomers (molecular mass 228 Da), 11 five-ring isomers (molecular mass 278), 17 six-ring isomers (molecular mass 328 Da), and 20 seven-ring isomers (molecular mass 378 Da). Significant linear correlations were found for all isomer groups (r = 0.71 to 0.94). Nonplanarity of the PAH isomers was found to influence retention (i.e., nonplanar isomers eluting earlier than expected based on L/B) and linear correlations of retention vs. T for isomer groups containing nonplanar isomers were significant (r = 0.71 to 0.86).

Citation

Analytical and Bioanalytical Chemistry

Pub Type

Journals

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DOI Link

Keywords

Polycyclic Aromatic Hydrocarbons (PAHs), Reverse-Phase Liquid Chromatography (RPLC), Shape Selectivity, Length-to-Breadth Ratio, Nonplanarity, High Molecular Mass PAHs

Citation

Ona Ruales, J. , Sander, L. , Wilson, W. and Wise, S. (2017), Revisiting Shape Selectivity in Liquid Chromatography for Polycyclic Aromatic Hydrocarbons (PAHs) – Six-Ring and Seven-Ring Cata-condensed PAH Isomers of Molecular Mass 328 Da and 378 Da, Analytical and Bioanalytical Chemistry, [online], https://doi.org/10.1007/s00216-017-0456-x (Accessed October 14, 2025)