酸碱软硬性的键参数标度

• 作 者: 熊建平 肖海波
• 出 处: 郴州师专学报(综合版)
• 发表日期: 1994年04期
• 关键词: 键参数 软硬酸碱 离子势 受体原子 标度值 硬酸 硬碱 阳离子酸 离子极化 极化性

本论文从软硬酸碱的结构入手,建立了一套酸、碱软硬性的键参数标度。1、酸的软硬性的键参数标度:I_A=26.5Z/r-Z~(* 2)/r,2、碱的软硬性的键参数标度:I_B=4.16X+0.25a-12.69。利用本标度,计算了80个阳离子酸和非金属原子酸的I_A。值以及14个负离子碱的I_B值,其结果与Pearson的软、硬、交界酸碱分类能较好地符合。

This dissertation starts with the structure of hard and soft acid and alkali, and established a set of key parameter scale of acid and alkali soft and hard. 1, the hardness of the acid key parameters of the scale: I_A = 26.5Z / r-Z ~ (* 2) / r, 2, the soft and hard alkali bond parameter scaling: I_B = 4.16X +0.25 a -12.69. Using this scale, I_A of 80 cationic and non-metallic atomic acids were calculated. Value and I_B value of 14 anions, the results are in good agreement with Pearson’s soft, hard and border acid-base classification.