一个新的有机同系物电离能拟合公式  

A New Formula Fitting the Ionization Energies of the Organic Homologue

作　　者：刘亚军[1] 郑世钧[1] 

机构地区：[1]河北师范大学化学系,石家庄050016

出　　处：《化学学报》1998年第3期223-232,共10页Acta Chimica Sinica

基　　金：河北省自然科学基金

摘　　要：本文提出有机同系物电离能拟合公式:NlogI_p=a+bn,其中N为组成同系物分子的原子总数,n为重复单元的重复度,a,b是和能级有关的常数.以NlogI_p对n进行线性回归分析,结果46个同系列150组光电子能谱数据所得相关系数r全部大于0.997,其中131组达到1.000,优秀率为100％.This paper presents a new fitting formula about the ionization energies of organic homologue: NlogIp = a + bn, where N, Ip, and n are total atom numbers composing the homologue,ionization energy, and numbers of the repeat unit,respectively,and a ,b are constants related to the energy level. After making linear regression analysis between NlogIp and n ,all the correlation coefficients obtained from 150 groups of photoelectron spectral data of 46 homologous series are higher than 0.997,and among them are 1.000 in 131 groups,so the excellent rate is 100 percent.

关 键 词：有机同系物 电负性 电离能 同系物 拟合 

分 类 号：O621.141[理学—有机化学]