Properties of the Solute-Stationary Liquid Interactions in Gas Liquid Chromatography

概要

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The solute-stationary liquid interaction in gas liquid chromatography (GLC) was determined using Eyring's model. The interaction was determined to be the physical adsorption. The descriptor σ_M was derived and estimated by van der Waals interactions. The CH/π interaction energies were calculated by Tsuzuki et al. using the high-level ab initio calculations. The CH/π interaction energy was concluded to consist of the dispersion energy (E_<dis>) rather than the electrostatic (E_<es>) and charge-transfer (E_<ct>) energies. These energies were in good agreement with our descriptor σ_M. Furthermore, the macroscopic σ_M also had microscopic support through the weak CH/π interactions. In substituted benzenes, regression analyses were carried out using σ_M for the relative retention values, log γ, as a measure of the solute-stationary liquid interaction. The analyses revealed good results under non-polar conditions. The log γ values therefore consisted primarily of contributions from the dispersion interaction and the CH/π complex. Moreover, these values were useful when added to the electrostatic term (our descriptor σ_<es>) for polar solutes. That is, the log γ values were estimated by the regression analyses using both σ_M and σ_<es>, and were in good agreement with the predicted values.
2008-03-01