Related Experiment Video
Updated: Aug 15, 2026

On-line Analysis of Nitrogen Containing Compounds in Complex Hydrocarbon Matrixes
Published on: August 5, 2016
[Quantitative relationship between gas chromatographic retention indices and structural parameters of polychlorinated
Hongyan Liu1, Zunyao Wang, Shushen Liu
1Department of Material and Chemical Engineering, Guilin Institute of Technology, Guilin 541004, China. lhyglite@126.com
Abstract:
The structural and thermodynamic properties of 76 polychlorinated naphthalenes (PCNs) were fully computed at B3LYP/6-31G* level. Both structural and thermodynamic parameters of PCNs obtained were consequently taken as theoretical descriptors and correlated with their gas chromatographic retention indices (RI), so as to develop the relevant quantitative structure-retention relationship (QSRR) regression model (model I) with r2 of 0.9957, which possesses high correlation, high predictive power and clear physical interpretations. Secondly, another linear QSRR model (model II) was achieved by employing the number and position of chlorine substitution as descriptors, of which r2 was 0.9967, and also the main factors affecting the retention time of PCNs were investigated.
More Related Videos
08:22Nitrogen Compound Characterization in Fuels by Multidimensional Gas Chromatography
Published on: May 15, 2020
11:44Qualitative Characterization of the Aqueous Fraction from Hydrothermal Liquefaction of Algae Using 2D Gas Chromatography with Time-of-flight Mass Spectrometry
Published on: March 6, 2016
Related Concept Videos
¹H NMR of Conformationally Flexible Molecules: Variable-Temperature NMR
Silica Gel Column Chromatography: Overview
Polar components tend to bind strongly to the silica gel, causing them to move slowly through the column. In contrast, nonpolar compounds...
UV–Vis Spectroscopy: Woodward–Fieser Rules
NMR Spectroscopy of Benzene Derivatives
¹H NMR of Conformationally Flexible Molecules: Temporal Resolution
Gas Chromatography: Types of Columns and Stationary Phases
For an analyte to remain on the column for a sufficient amount of time, it must exhibit some level of compatibility (or...