The influence of the aromatic character in the gas chromatography elution order: the case of polycyclic aromatic hydrocarbons

Published

November 8, 2016

Author(s)

Jorge O. Ona Ruales, Walter B. Wilson, Federica Nalin, Lane C. Sander, Patricia Schubert, Stephen A. Wise

Abstract

A link between the aromatic character of polycyclic aromatic hydrocarbons (PAHs) and gas chromatography (GC) elution order in columns with a polysiloxane backbone in the stationary phase is reported for the first time. The aromatic character was calculated using a method that combines the π-Sextet Rule and the Pauling Ring Bond Orders to allow the establishment of the location and migration of aromatic sextets in PAH structures. One GC column with a polysiloxane-like backbone (Rxi-PAH) and three GC columns with a polysiloxane backbone (DB-5, SE-52 and LC-50) were used for the analysis. According to the results of this study, within an isomer group, PAHs that contain a lower number of rings affected by the aromatic sextets tend to elute earlier than PAHs that contain a higher number of rings affected by the aromatic sextets. The PAHs that follow the calculated elution order are 88% in the Rxi-PAH column, 88% in the DB-5 column, 93% in the SE-52 column and 85% in the LC-50 column. It is expected that future analyses with other aromatic compounds in GC columns with a polysiloxane backbone in the stationary phase will follow a GC elution order that agrees with the aromatic character of the molecules.

Citation

Molecular Physics

Pub Type

Journals

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DOI Link

Keywords

Polycyclic Aromatic Hydrocarbons (PAHs), Gas Chromatography with Mass Spectrometry (GC/MS), Polysiloxane, Aromaticity

Citation

Ona, J. , Wilson, W. , Nalin, F. , Sander, L. , Schubert, P. and Wise, S. (2016), The influence of the aromatic character in the gas chromatography elution order: the case of polycyclic aromatic hydrocarbons, Molecular Physics, [online], https://doi.org/10.1080/00268976.2016.1246756 (Accessed October 8, 2025)