Lewis酸软硬性的新标度

A New Scale for Strengths of Lewis Acids

本文用二参数方程计算了Lewis酸软硬的标度,参数z/r^2与静电力相关,其中z是原子实的电荷数,r是离子半径,另一参数是由原子的极化率和电离能计算得的价态元素电负性x_m,x_m与共价键的强度相关。计算结果与文献值相当一致。

In this paper,a scale for the Lewis acid strengths has been calculated from the dual parameter equation AL = Z/r2 -11. 36xm + 16,71. One parameter, Z/r2 ,where Z is the charge number of the atomic core and r is the ionic radius,is related to electroslatic force. Anothe Parameter , the electronegativity of elements in ralence states, xm, which are calculated by using observed ionization potentials and atomic polarizability, is related to covalent bond strength. The results of the present study agree quite well with the several sets of scale of strengths of Lewis acids published in literatures.