title: Retention behavior of alkyl-substituted polycyclic aromatic sulfur heterocycle isomers in gas chromatography on stationary phases of different selectivity.
abstract: Retention indices for 10 sets of alkyl-substituted polycyclic aromatic sulfur heterocycles (PASHs) isomers (total of 80 PASHs) were determined using gas chromatography with three different stationary phases: a 50% phenyl phase, a 50% liquid crystalline dimethylpolysiloxane (LC-DMPS) phase, and an ionic liquid (IL) phase. Correlations between the retention behavior on the three stationary phases and PASH geometry [length-to-breadth (L/B) and thickness (T)] were investigated for the following PASHs: 4 methyl-substituted dibenzothiophenes (DBTs), 3 ethyl-substituted DBTs, 15 dimethyl-substituted DBTs, 8 trimethyl-substituted DBTs, 15 methyl-substituted naphthothiophenes, 30 methyl-substituted benzonaphthothiophenes, and 5 methyl-substituted tetrapheno[1,12-bcd]thiophene. Correlation coefficients for retention on the 50% phenyl phase vs L/B ranged from r=-0.28 (MeBbN23Ts) to r=0.92 (EtDBTs). Correlation coefficients for retention on the IL phase vs L/B ranged from r=0.13 (MeN12Ts) to r=0.83 (EtDBTs). Correlation coefficients for retention on the 50% LC-DMPS phase vs L/B ranged from r=0.22 (MeDBTs) to r=0.84 (TriMeDBTs).
authors.affiliation: Chemical Sciences Division, Material Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, MD 20899, United States. Electronic address: walter.wilson@nist.gov.
authors.forename: Walter B
authors.initials: WB
authors.lastname: Wilson
authors.affiliation: Chemical Sciences Division, Material Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, MD 20899, United States.
authors.forename: Lane C
authors.initials: LC
authors.lastname: Sander
authors.affiliation: Chemical Sciences Division, Material Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, MD 20899, United States.
authors.forename: Jorge O
authors.initials: JO
authors.lastname: Oña-Ruales
authors.affiliation: Chemical Sciences Division, Material Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, MD 20899, United States.
authors.forename: Stephanie G
authors.initials: SG
authors.lastname: Mössner
authors.affiliation: MilliporeSigma, A Business of Merck KGaA, Bellefonte, PA 16823, United States.
authors.forename: Leonard M
authors.initials: LM
authors.lastname: Sidisky
authors.affiliation: Department of Chemistry and Biochemistry, Brigham Young University, Provo, UT 84602, United States.
authors.forename: Milton L
authors.initials: ML
authors.lastname: Lee
authors.affiliation: Chemical Sciences Division, Material Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg, MD 20899, United States.
authors.forename: Stephen A
authors.initials: SA
authors.lastname: Wise
mesh_terms: D002849:Chromatography, Gas; D004129:Dimethylpolysiloxanes / Q000737:chemistry; D007536:Isomerism; D011084:Polycyclic Aromatic Hydrocarbons / Q000737:chemistry*; D013455:Sulfur / Q000737:chemistry*; D013876:Thiophenes / Q000737:chemistry
chemical_list: D004129:Dimethylpolysiloxanes; D011084:Polycyclic Aromatic Hydrocarbons; D013876:Thiophenes; D013455:Sulfur; C501844:dimethicone; C016366:dibenzothiophene
keywords: Gas chromatography; Polycyclic aromatic sulfur heterocycles; Retention indices; Shape selectivity; Stationary phases