气相色谱流动相保留指数与结构参数相关规律的研究

气相色谱流动相保留指数与结构参数相关规律的研究 THE STUDY OF CORRELATIVE RULES BETWEEN THE RETENTION INDEXES OF GAS CHROMATOGRAPHY AND STRUCTURAL PARAMETERS 罗明道 Luo Mingdao first-author 颜肖慈 Yan Xiaoci 徐顺 Xu Shun 张昕 Zhang Xin 本文用QSPR程序拟合了22个体系100多个化合物为流动相时的保留指数与克分子折射度、偶极矩平方之间的关系,发现它们有很好的相关性,相关系数在0.98以上。对苯胺系列用克分子折射度和氨基上两个氢原子的净电荷对保留指数拟合,其相关系数为0.9434。 In this paper the relations between the retention indexes of more than one hundred compounds of 22 systems as solutes and the molar refractivities, squar of the dipole moments were studied with QSPR regressive program. Their correlativeties are very good. The correlative coefficients are over 0.98. The correlative coefficient of a series of aniline between the retention indexes and molar refractivities, the net charge of two hydrogens on aminogroup is 0.9434. 保留指数 结构参数 相关性 Retention indexes Structural parameters Correlativity 1987-03-01 2021-04-01 3