摘要
根据电负性均衡原理提出了有机分子中基团电荷分数值的计算方法,对于烷烃中氢的平均电荷值与沸点的定量关系;基团电荷值与烷烃电偶极距;电荷值与脂肪醇和胺的气相酸碱性顺序;电荷值与烯烃亲电加成反应方向和羧酸衍生物亲核取代反应活性等问题进行了分别讨论。
Based on Sanderson s principle of eleetronegtivity balance, a novel technique was comprehensively
proposed for calculation of position partial charge of group in organic molecules. Some quantitative relationships were established to describe boiling point and dipolar moment of alkanes, gas - phase acidity and/of basicity of aliphatic alkanols and amines, and as well, electrophilic and neuclophilic substitution activities for alkenes and carboxyl acids.
出处
《化工时刊》
CAS
2001年第3期24-27,共4页
Chemical Industry Times
基金
国家教委及机械部跨世纪学科带头人优秀人才基金
关键词
有机分子
电负性均衡
基团电荷值
烷烃沸点
烷烃电偶极距
气相酸碱性
亲电加成方向
亲核取代活性
Principle of electronegtivity balance, Position partial charge of group, boiling point of alkane, dipolar moment of alkane, gas- phase acidity- basicity, electrophilic and neucophilic substitution activities