苯酚和苯胺类衍生物的结构与薄层色谱保留值关系的研究

以不同比例的己烷－乙酸乙酯二元体系作为展开剂，在硅胶板上测定了２４种苯酚和苯胺类衍生物的比移值Ｒｆ。用斜交因子分析方法将这２４种化合物分为具有不同特征的两大类：第一类的苯环上均不含甲基，而第二类的苯环上均含甲基。第一类化合物的比移值均比第二类要小；苯环上取代基团使Ｒｆ值增大的顺序为ＣＨ３＞ＯＨ＞ＮＨ２；邻位取代的化合物，由于分子内形成氢键，极性减弱，因而比移值增大。分别对两类化合物的保留值与其拓扑指数进行多元回归分析的结果表明，它们的色谱保留行为与其分子结构之间存在着较好的相关性。

The Relationship Between Thin Layer Chromatographic Retention Values and Molecular Structures of Phenol and Aniline Derivatives

The Rf values of 24 phenol and aniline derivatives were determined on silica gel layer with three solvent mixtures of hexane-ethyl acetate in different proportions as the mobile phases. The compounds were divided into two species having different features by using the oblique factor analysis. It was found that in the first species there is no methyl group on their benzene rings and in the second all have methyl group in their benzene rings, which results in higher Rf values of the latter than those of the former. It was also found that the sequence of the groups on the benzene rings which make the Rf values of the compounds higher was --CH3 >--OH >--NH2 and the compounds having the ortho-substituted groups give the higher Rf values than para- and meta-substituted ones due to the formation of hydrogen bond within their molecules. The multi-parameter regression analyses of Rf values with the topological indexes degree B and M for the two species showed rather good correlation between the TLC retention values and the molecular structure of the compounds. The findings are of great practical significance.