反相高效液相色谱保留因子模型参数的量子化学研究(Ⅱ)  

Study on the Parameters of Capacity Factor Model of Reversed-Phase High Performance Liquid Chromatography (HPLC) with Quantum Chemistry ( Ⅱ )

作　　者：李庆明[1] 徐广通[2] 侯镜德[3] 

机构地区：[1]北京师范大学化学系,100875 [2]山东建材学院应化系,济南250022 [3]浙江大学分析测试中心,杭州310027

出　　处：《色谱》1993年第3期152-154,共3页Chinese Journal of Chromatography

摘　　要：色谱中保留因子方程参数的确定对色谱分离条件的优化选择十分重要。以甲醇-水为流动相,我们曾尝试建立保留因子方程参数与苯系衍生物前线轨道能量之间的关系。本文以乙腈/水体系为流动相,对上述关系作一探讨。In this paper, the parameters of the capacity factor model for benzene and its derivatives were determined with reversed-phase HPLC. Their frontier orbital energies were calculated with CNDO/2 semi-empirical method. With factor analysis, quantitative equations between them were established with multivariate regression analysis method. The results can be used for optimal operating condition selection in liquid chromatography.

关 键 词：高效液相色谱 保留因子参数 

分 类 号：O657.72[理学—分析化学]