【摘要】 基于元素的Pauling电负性,原子成σ键的电子数,原子直接键连的氢原子数目和原子在形成离域π键时所提供的Pz电子数,定义了一种原子点价公式,构建了分子连接性指数.研究了烷烃、单烯烃、单炔烃、苯和其同系物,饱和一元醇,多元醇和脂肪醚沸点同其分子连接性指数的相关性.结果表明:分子连接性指数具有良好的结构选择性和性质相关性,可用于预测有机化合物的沸点.更多还原

【Abstract】 Based on the Pauling electronegativity of elements,the atom σ-bond electron number,the bonded hydrogen atom number and the Pz electron number supplied as the atom forms delocalized π-bond,a new molecular topological index is developed for research on the boiling point for alkane,mono-olefin,alkin,saturated monobasic alcohol and fatty ether.With this,the linear relationship between boiling point for alkane,alkene,alkine,saturated monobasic alcohol and fatty ether and the molecular topological index is obtained.The findings show that the molecular connectivity index has excellent structural selectivity and property correlativity,which can serve to predict the boiling point of other organic compounds.更多还原