摘要
根据分子结构的特点，用拓扑方法探讨了烷基苯同分异构体摩尔折射度与分子结构的关系，提出了１个既能合理表征烷基苯的结构性能关系，又能预测其摩尔折射度的定量关系式．对１１４种烷基苯的计算结果表明，摩尔折射度预测值接近实验值，平均误差０．２０３％．
Based on the characteristics of the molecular structure,a study is made on the relation-ship betwcen molar refractions of the alkyl benzene isomer and its molecular structure with the method oftupology.A quantitative relation is deveioped,which can be used to characterize the structureproperty rela-tionship rationally,and to predict the molar refractions of the alkyl benzene isomer. The calculated resultsshow that the predicted values of molar refractions are in good agreement with the experimental values with amean relative derivation of 0.203%.
出处
《四川师范学院学报（自然科学版）》
1994年第4期325-329,共5页
Journal of Sichuan Teachers College(Natural Science)
基金
河南省优秀中青年骨干教师基金
关键词
烷基苯
同分异构体
摩尔折射度
分子结构
Alkyl benzene,isomers, molar refraction,molecular structure.
