大学化学 >> 2022, Vol. 37 >> Issue (11): 2208150.doi: 10.3866/PKU.DXHX202208150

所属专题： 无机化学课程教学(2022)

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软硬酸碱理论经验规则的原因探讨

赵苹苹1,*(), 胡锴2, 蔡苹2, 程功臻2   

  1. 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
  • 收稿日期:2022-08-31 录用日期:2022-10-12 发布日期:2022-11-02
  • 通讯作者: 赵苹苹 E-mail:ppzhao@whu.edu.cn
  • 作者简介:赵苹苹,Email: ppzhao@whu.edu.cn
  • 基金资助:
    湖北省自然科学基金(2021CFB144);中国博士后基金(2017M612496)

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

Pingping Zhao1,*(), Kai Hu2, Ping Cai2, Gongzhen Cheng2   

  1. 1 Research Center for Graphic Communication, Printing and Packaging, Wuhan University, Wuhan 430072, China
    2 College of Chemistry and Molecular Sciences, Wuhan University, Wuhan 430072, China
  • Received:2022-08-31 Accepted:2022-10-12 Published:2022-11-02
  • Contact: Pingping Zhao E-mail:ppzhao@whu.edu.cn

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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。

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

Abstract:

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.

Key words: Lewis acid and base, HSAB, MOT, Frontier MO, Structure and properties