高等学校化学学报

高等学校化学学报

• 研究论文 • 上一篇    下一篇

异构现象与最大硬度原理

张贻亮1, 杨忠志2   

    1. 吉林大学化学学院, 长春 130023;
    2. 辽宁师范大学化学系, 大连 116029
  • 收稿日期:2005-09-27 修回日期:1900-01-01 出版日期:2006-10-10 发布日期:2006-10-10
  • 通讯作者: 杨忠志

Isomeric Phenomenon and the Maximum Hardness Principle

ZHANG Yi-Liang1, YANG Zhong-Zhi2
   

    1. College of Chemistry, Jilin University, Changchun 130023, China;
    2. Department of Chemistry, Liaoning Normal University, Dalian 116029, China
  • Received:2005-09-27 Revised:1900-01-01 Online:2006-10-10 Published:2006-10-10
  • Contact: YANG Zhong-Zhi

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被引次数

8

摘要： 利用原子-键电负性均衡方法计算了700多个异构体的硬度, 通过与标准生成焓所确定的相对稳定性比较后发现, 多数异构体并不遵守最大硬度原理.

关键词: 最大硬度原理, 原子-键电负性均衡方法, 异构体, 硬度, 稳定性

Abstract: The hardnesses of more than 700 isomers were calculated by using atom-bond electronegativity equalization method. By comparing their hardnesses with the relative stabilities derived from their standard enthalpies of formation, it is found that the maximum hardness principle is not obeyed for most of these isomers.

Key words: Maximum hardness principle, Atom-bond electronegativity equalization method, Isomer, Hardness, Stability

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