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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

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Abstract

The relationship of reversed-phase liquid chromatography (RPLC) 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 RPLC 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 isomers (molecular mass 178 Da), 5 four-ring isomers (molecular mass 228 Da), 11 five-ring isomers (molecular mass 278 Da), 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).

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Author notes

  1. Jorge O. Oña-Ruales

    Present address: Department of Chemical Engineering, Nazarbayev University, Astana, Kazakhstan, 010000

Authors and Affiliations

  1. Chemical Sciences Division, National Institute of Standards and Technology (NIST), 100 Bureau Dr. MS 8392, Gaithersburg, MD, 20899, USA

    Jorge O. Oña-Ruales, Lane C. Sander, Walter B. Wilson & Stephen A. Wise

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  1. Jorge O. Oña-Ruales
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  2. Lane C. Sander
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  3. Walter B. Wilson
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  4. Stephen A. Wise
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Correspondence to Jorge O. Oña-Ruales.

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Published in the topical collection celebrating ABCs 16th Anniversary.

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Oña-Ruales, J.O., Sander, L.C., Wilson, W.B. et al. 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. Anal Bioanal Chem 410, 885–896 (2018). https://doi.org/10.1007/s00216-017-0456-x

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  • DOI: https://doi.org/10.1007/s00216-017-0456-x

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