电负性标度和电子亲和能的规律性研究 Ⅱ.电子亲和能的规律性研究  

A New Electronegativity Scale and the Systematic Trends of the Electron Affinities Ⅱ. The Systematic Trends of the Electron Affinities

作　　者：李国胜[1] 郑能武[1] 

机构地区：[1]中国科学技术大学应用化学系,合肥230026

出　　处：《化学学报》1994年第6期529-534,共6页Acta Chimica Sinica

基　　金：国家自然科学基金资助的项目.

摘　　要：本文研究了不同情形下,绝对硬度η与<r^-1>_(nl)(r为轨道半径,n,l为轨道的主量子数和角量子数)的关系,并在前文提出的Z′/<r>_(nl)与Mulliken电负性关系基础上,将元素电子亲和能A同时与Z′/<r>_(nl)和<r^-1>_(nl)相关起来,并表示成A=aZ′/<r>_(nl)+b<r^-1>_(nl)+C(a,b,c,为常数).我们研究了这种关系在周期表中各族及各过渡系的拟合结果,不但计算值与电子亲和能的实验值非常吻合,而且拟合的相关程度很高.本文方法为系统研究电子亲和能的变化规律提供了简单可行的途径.By studying the relation between the absolute hardness η and < r-1 > nl in different cases, and using the relation of Z'/<r>nl to the Mulliken electronegativity, the electron affinities (A) are correlated simultaneously to Z' / <r>nl and <r-1 >nl, thereby giving rise to the following equationA=aZ' / <r>nl+b<r-1>nl+cwhere a, b and c are constants. And we have done so for each column and transition series in the Periodic Table. Almost all the calculated results are in a good agreement with the experimental values and the correlation coefficients are high. The method provides an easy and feasible way for studying the systematic trends of the electron affinities. The physical essence of this correlation is elucidated and some discussions of the results are given.

关 键 词：电子亲和能 电负性 标度 

分 类 号：O641[理学—物理化学]