Molecular shape and the prediction of high-performance liquid chromatographic retention indexes of polycyclic aromatic hydrocarbons.

The effects of molecular shape on the retention behavior of polycyclic aromatic hydrocarbons (PAH) have been studied. It has been found that the retention on polymeric phases is highly shape dependent in contrast to the monomeric phases where retention is more dependent on the electronic properties of the solute. In addition, retention on the polymeric phases has been studied with respect to substitution and shape. The retention of substituted PAHs shows a strong dependence on shape, whereas the retention of unsubstituted PAHs is more dependent on electronic properties.

[1]  C. Lochmüller,et al.  The effect of end-capping reagent on liquid chromatographic performance , 1982 .

[2]  C. Tran,et al.  An approach to the prediction of retention times in liquid chromatography , 1981 .

[3]  Terry R. Stouch,et al.  A simple method for the representation, quantification, and comparison of the volumes and shapes of chemical compounds , 1986, J. Chem. Inf. Comput. Sci..

[4]  S. Wise,et al.  Effect of C18 surface coverage on selectivity in reversed-phase liquid chromatography of polycyclic aromatic hydrocarbons , 1983 .

[5]  P. Jurs,et al.  Computer-assisted prediction of liquid chromatographic retention indexes of polycyclic aromatic hydrocarbons , 1983 .

[6]  S. Wise,et al.  A Relationship Between Reversed-Phase C18 Liquid Chromatographic Retention and the Shape of Polycyclic Aromatic Hydrocarbons , 1981 .

[7]  S. Wise,et al.  Synthesis and characterization of polymeric C18 stationary phases for liquid chromatography , 1984 .

[8]  Prediction of gas chromatographic retention indexes of polycyclic aromation compounds and nitrated polycyclic aromatic compounds , 1986 .

[9]  M. Guillén,et al.  Prediction of gas chromatographic retention indices of linear, branched, and cyclic alkanes from their physicochemical properties , 1984 .

[10]  C. Horváth,et al.  Stationary phase effects in reversed-phase chromatography II. Substituent selectivities for retention on various hydrocarbonaceous bonded phases , 1982 .

[11]  K. Markides,et al.  Smectic biphenylcarboxylate ester liquid crystalline polysiloxane stationary phase for capillary gas chromatography , 1985 .

[12]  R. B. Sleight Reversed-phase chromatography of some aromatic hydrocarbons , 1973 .

[13]  P. Jurs,et al.  Studies of Chemical Structure-Biological Activity Relations Using Pattern Recognition , 1979 .

[14]  J. Pankow,et al.  Effects of flow rate and temperature on the thermal desorbability of polycyclic aromatic hydrocarbons and pesticides from Tenax-GC , 1983 .

[15]  Roman Kaliszan,et al.  A relationship between the retention indices on nematic and isotropic phases and the shape of polycyclic aromatic hydrocarbons , 1979 .

[16]  S. Wise,et al.  Factors affecting the reversed‐phase liquid chromatographic separation of polycyclic aromatic hydrocarbon isomers , 1985 .

[17]  W. Zielinski,et al.  Utilitiy of high-temperature thermotropic liquid crystals as stationary phases for novel gas—liquid chromatographic separations , 1979 .

[18]  A. Leo,et al.  Substituent constants for correlation analysis in chemistry and biology , 1979 .

[19]  Kenneth J. Miller,et al.  Additions and Corrections - A New Empirical Method to Calculate Average Molecular Polarizabilities , 1979 .

[20]  Milton L. Lee,et al.  Mesogenic polysiloxane stationary phase for high-resolution gas chromatography of isomeric polycyclic aromatic compounds , 1982 .

[21]  C. M. White,et al.  Gas chromatographic retention characteristics of nitrated polycyclic aromatic hydrocarbons on SE-52 , 1983 .

[22]  Curt M. White,et al.  Retention indices for programmed-temperature capillary-column gas chromatography of polycyclic aromatic hydrocarbons , 1979 .

[23]  S. Wise,et al.  Modification of Selectivity in Reversed-Phase Liquid Chromatography of Polycyclic Aromatic Hydrocarbons Using Mixed Stationary Phases , 1983 .

[24]  K. Jinno,et al.  Correlation between the retention data of polycyclic aromatic hydrocarbons and several descriptors in reversed-phase-HPLC , 1983 .