Application of the Solvatochromic Comparison Method to Chromatographic Retention and Selectivity

本项目由分析和表面化学项目资助，旨在对反相液相色谱（RPLC）的溶剂化和保留机制进行新的研究。在这18个月的标准资助期间，Carr教授和他在明尼苏达大学的学生将扩大他们在溶剂变色方面的研究，以表征超临界流体和胶束系统的分离过程。气相色谱固定相将设计与官能团参与氢键，酸碱，和偶极相互作用与各种极性和非极性测试溶质。这些相互作用将被量化使用顶空气相色谱结合线性溶剂化能量关系和卡姆莱特-塔夫脱溶剂化参数。该方法将应用于理解和预测超临界流体色谱和胶束电动毛细管色谱中分析物的保留。磁性和光学光谱技术允许计算光谱能量参数与分析物结构的相关性，而反相色谱法中保留剖面的预测由于缺乏确定的理论而变得复杂，该理论可以将溶液中物种之间的分子相互作用与分析物在流动相和固定相之间的分配联系起来。卡尔教授和他在明尼苏达大学的学生一直是溶剂化变色理论发展的领导者，该理论与经验色谱和光谱测量相结合，试图量化分离科学中的保留行为。这些追求将扩展到针对环境和工业应用的新形式色谱的表征。

This project, supported in the Analytical and Surface Chemistry Program, is directed towards the renewed study of solvation and retention mechanisms in reversed phase liquid chromatography (RPLC). During the tenure of this eighteen month standard grant, Professor Carr and his students at the University of Minnesota will expand their research in solvatochromism towards the characterization of separation processes in supercritical fluid and micellar systems. Gas chromatographic stationary phases will be designed with functional groups that participate in hydrogen bonding, acid base, and dipolar interactions with various polar and nonpolar test solutes. These interactions will be quantified using headspace gas chromatography in conjunction with linear solvation energy relations and Kamlet-Taft solvation parameters. This approach will be applied to the understanding and prediction of analyte retention in supercritical fluid chromatography and micellar electrokinetic capillary chromatography. Unlike magnetic and optical spectroscopic techniques which allow the calculation and correlation of spectral energy parameters with analyte structure, the prediction of retention profiles in reversed phase chromatography is complicated by lack of a definitive theory which can correlate molecular interactions between species in solution with the partitioning of analyte between mobile and stationary phases. Professor Carr and his students at the University of Minnesota have been leaders in development of the solvatochromic theory, which in concert with empirical chromatographic and spectroscopic measurements, attempts to quantify retention behavior in separation science. These pursuits will be expanded to the characterization of new forms of chromatography targeted towards environmental and industrial applications.