脂肪醚折光指数与分子结构之间关系的探讨

QUANATIVE STUDY ON THE RELATION BETWEEN REFRACTIVE INDEX AND MOLECULAR STRUCTURE OF ALIPHATIC ETHERS

根据分子拓扑学原理．用拓扑方法探讨了脂肪醚结构与折光指数之间的关系．提出一个既能合理表征脂肪醚结构性能关系、又能预测折光指数的定量关系。结果表明．折光指数预测值与实验值的一致性令人满意．平均相对误差±０．１７４％。

Based on the molecular topology, distance matrix is used to characterize the molecular strcuture, distinction and shape factors are proposed to distinguish the difference among the atoms in molecules, the relation between tefractive index and molecular structrue of aliphatic ether is studied and a quantitative relation is developed that can be used to characterize the structure-property relationship and to predict the refractive indexes of aliphatic ethers.The calculated results show that the predicted values of refractive indexes are in good agreement with the experimentaldata, and the mean relative deviation is ±0.174%. Not only can the quantitative relation predict the refractive indexes. but can help to discover the secret among the structure-property relationship.