关键词: 定量关系, 分子结构, 结构与性能关系, 河南省优秀中青年骨干教师基金, 折光指数, 卤代烃, 拓扑

An approach based on the molecular topology iis used to study the relationship be-tween refractive indexes of haloalkanes and their molecular structure, and a quantitative relation has been established which can be used to characterize the structure-property relationship of haloalkanes to predict the refractive indexes nD of liquid haloalkanes at 293K where λ and ai(i=0~4) are constants for haloalkanes, Wk, P3, S1 and S2 are structural informa-tion indexes defined in this paper. The results show that the calculated values of refractive indexes agree with the experiment data satisfactorily, and the mean relative deviation is only 0.070% for 252 haloalkanes.

Key words: MOLECULAR STRUCTURE, STRUCTURE AND PROPERTY CORRELATION, HALOHYDROCARBON, REFRACTIVE INDEX, TOPOLOGY