基团电负性

基团电负性 Group Electronegativity 聂长明 NIE Chang\|ming 1 first-author 中南工学院化学工程系,衡阳,421001 中南工学院化学工程系,衡阳,421001 Department of Chemical Engineering, Central South Institute of Technology Department of Chemical Engineering, Central South Institute of Technology 在电负性均衡原理基础上 ,提出了一个新的计算基团电负性公式 :XG={ 1n1 l∑n1 ll=1[1n2 l∑n2 ll=1… （1nkl∑nkll=1Xkl）… ]}用上式计算了 5 2 8个开链基团和环状基团的电负性 ,计算结果与国内外流行几套基团电负性颇为一致 ,且呈明显的变化规律 . According to the principle of electronegativity equilibrium, a new formula for calculation of group electronegativities has been given X G=｛1n 1l ∑n 1l l=1[1n 2l ∑n 2l l=1…（1n kl ∑n kl l=1X kl ）…]｝ The group electronegativities for 528 chain\|groups and cyclic\|groups have been calculated. The results of the present work correspond very well to the several sets of popular graup electronegativities published in literatures. 基团 电负性 计算 group electronegativity calculation 10.14188/j.1671-8836.2000.02.013 O621 2000-02-01 2021-04-01 2