软硬酸碱理论经验规则的原因探讨  

The Nature of the Empirical Rule on Hard and Soft Acid and Base Interactions

作　　者：赵苹苹 胡锴[2] 蔡苹[2] 程功臻[2] Pingping Zhao;Kai Hu;Ping Cai;Gongzhen Cheng(Research Center for Graphic Communication,Printing and Packaging,Wuhan University,Wuhan 430072,China;College of Chemistry and Molecular Sciences,Wuhan University,Wuhan 430072,China)

机构地区：[1]武汉大学图像传播与印刷包装研究中心,武汉430072 [2]武汉大学化学与分子科学学院,武汉430072

出　　处：《大学化学》2022年第11期216-218,共3页University Chemistry

基　　金：湖北省自然科学基金(2021CFB144);中国博士后基金(2017M612496)。

摘　　要：软硬酸碱规则是Lewis酸碱理论的重要组成部分,目前主要依赖经验描述。本文通过大学本科学生熟知的分子轨道理论对“硬亲硬、软亲软”经验规则背后的原因进行分析,发现“硬亲硬、软亲软”分别对应于离子键和共价键,并用实例说明该方法可以解释无机物的结构和性质。Hard and soft acid and base(HSAB)theory is the main component of Lewis acid and base theory.The interaction between acid and base relies strongly on empirical rules.In this work,we try to reveal the nature behind those empirical rules using molecular orbital theory,which most chemistry-major students understand.It is found that the chemical bonds between hard acids and hard bases are mainly ionic,while soft acids mainly form covalent bonds with soft bases.It is also illustrated that this method can be conveniently used to solve the structure and reaction problems in inorganic chemistry.

关 键 词：电子酸碱 软硬酸碱 分子轨道理论 前线轨道 结构和性质 

分 类 号：G64[文化科学—高等教育学] O6[文化科学—教育学]