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用NMR考察了甲醇、乙腈、四氢呋喃、丙酮、1,4-二氧六环与水混合溶液的化学位移,提出了计算反相液相色谱流动相强度的计算公式:f= V×niδi .式中f 为流动相强度,为流动相中有机改性剂的体积百分数,V为有机改性剂的摩尔分子体积,ni 为有机改性剂中与碳原子相连的等价质子数,δi 为有机改性剂中与碳原子相连的氢原子的化学位移.由上式得到的流动相强度值,用于不同体系之间流动相的等强度交换,获得满意结果.对279 组数据的考察结果表明,f 对logk的线形回归相关系数的平均值优于对logk的回归结果.
The chemical shifts of methanol, acetonitrile, tetrahydrofuran, acetone and 1,4-dioxane mixed with water were investigated by NMR. The formula for calculating the mobile phase intensity of reversed-phase liquid chromatography was proposed: f = V × niδi. Where f is the mobile phase strength, is the volume fraction of the organic modifier in the mobile phase, V is the molar volume of the organic modifier, ni is the number of equivalent protons attached to the carbon atom in the organic modifier, δi Is the chemical shift of the hydrogen atoms attached to the carbon atom in the organic modifier.The strength of the mobile phase obtained from the above equation is used for the equal exchange of the mobile phase between the different systems to obtain satisfactory results. The results show that the average of the linear regression correlation coefficients of f to logk is better than that of to logk.