电离势,电子亲和势,电负性与酸碱软硬度

本文用Lewis酸的平均电离势对其电负性作图;用Lewis碱的第一电子亲和势对其电负性作图,得出分类软酸、硬酸和软碱、硬碱的两个方程: H_A=∑I_n/n-3.1x 2.6 (1) H_B=A 3.51x-7.24 (2)运用(1)式计算了113种酸的硬度值,用(2)式计算了59种碱的硬度值。突破了复杂酸碱的标度问题。结果与Dearson根据实验所总结的分类一致,与Ahrland和Klopman结果相比较大致呈线性关系。

lonization Potentials Electronaffinity Electrongativity and Acid-base Hardness and Softness

This paper by means of the plot that the mean ionization potentials of Lewis acid and the first electronaffinity of Lewis base with electrongativity derived the following two equations. About the classification of softness-acid hardness-acid and softness-base hardness-base.HA=ZZZZZZIn/n-3.1 2.6( 1 )HB=A 3.51x-7.24( 2 )By equation ( 1 ) and ( 2 ) . We calculation the hardness of 113 acids and 59 bases. Thus it solved the scale problem of complex acid and base. This result is identical with pearson/s experiment classification, it compare to Ahrland's and Klopman' s results, also shows the Iinear relation.