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化学学报
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化学学报 ›› 1998, Vol. 56 ›› Issue (3): 223-232. 上一篇    下一篇

研究论文

一个新的有机同系物电离能拟合公式

刘亚军;郑世钧   

  1. 河北师范大学化学系
  • 发布日期:1998-03-15

A new formula fitting the ionization energies of the organic homologue

LIU YAJUN;ZHENG SHIJUN   

  • Published:1998-03-15

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379

被引次数

21

本文提出有机同系物电离能拟合公式: NlogIp=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NlogIp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%。

关键词: 同系物, 电离能, 光电子谱法, 电负性, 河北省自然科学基金

This paper presents a new fitting formula about the ionization energies of organic homologue: NlogIkp=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.

Key words: HOMOLOG, IONIZATION ENERGY, PHOTOELECTRON SPECTROSCOPY, ELECTRONEGATIVITY

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