化学学报 ›› 1957, Vol. 23 ›› Issue (3): 234-237. 上一篇    下一篇

论文

原子负电性的新计算

李世瑨   

  1. 华东化工学院
  • 投稿日期:1956-06-08 发布日期:2013-06-03

A NEW METHOD FOR THE CALCULATION OF THE ATOMIC ELECTRONEGATIVITY

LI SHIH-TSIN   

  1. East China Institute of Chemical Technology
  • Received:1956-06-08 Published:2013-06-03

原子负电性的最简单定义是“原子在分子中吸引电子的能力”。近年来Moffitt的研究认为一个原子可具有一定范围的负电性,换言之,原子负电性的大小系随其价态而定。关于原子负电性的计算,历年来各方已提出数种理论或经验式的方法,Mulliken曾从原子的离解电势和电子亲和力来量度原子负电性的大小;Malone曾就键的偶极矩和负电性差而获得二者之间相互的关系;Pauling则由热化学的实验数据,即所谓键能量而制定原子负电性的标度;刘遵宪首先由原子半径和原子价按经验式来计算原子负电性;随后孙承谔和作者又各自由量子数、原子序、及原子价之间的关系而提出不同的计算式。

According to Mulliken's definition, the atomic electronegativity is closely allied to ionicity. So the electronegativity of an atom in the stable molecule may be considered as the electric potential at the ionic boundary. In other words, the electronegativity of an atom is directly proportional to its effective nuclear charge and inversely proportional to its ionic radius. By plotting this electric potential against Pauling's electronegativity scale, a linear relationship between them is obtained.