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.
出处
《化学学报》
SCIE
CAS
CSCD
北大核心
1998年第3期223-232,共10页
Acta Chimica Sinica
基金
河北省自然科学基金
关键词
有机同系物
电负性
电离能
同系物
拟合
organic homologous compound,molecular electronegativity,ionization energy
