物理化学学报 >> 1999, Vol. 15 >> Issue (11): 986-989.doi: 10.3866/PKU.WHXB19991106

研究论文 上一篇    下一篇

β-丙内酯的反应性分析

张贻亮, 李慎敏, 杨忠志   

  1. 吉林大学理论化学研究所，长春 130023|辽宁师范大学化学系，大连 116029
  • 收稿日期:1999-01-27 修回日期:1999-03-29 发布日期:1999-11-15
  • 通讯作者: 张贻亮

Reactivity Analysis of β-propiolactone

Zhang Yi-Liang, Li Shen-Min, Yang Zhong-Zhi   

  1. Institute of Theoretical Chemistry,Jilin University,Changchun 130023|Department of Chemistry,Liaoning Normal University,Dalian 116029
  • Received:1999-01-27 Revised:1999-03-29 Published:1999-11-15
  • Contact: Zhang Yi-Liang

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摘要：

利用原子-键电负性均衡方法研究了β-丙内酯与不同亲核试剂的反应性. 研究表明, Fukui函数不是决定反应选择性的唯一因素, 而局域意义的软硬酸碱原理可用来理解此类反应性.

关键词: 原子-键电负性均衡方法, 软硬酸碱原理, Fukui函数, 化学反应性

Abstract:

The chemical reactivity of β-propiolactone with different nucleophiles is studied by use of atom bond electronegativity equalization method. According to our study, the Fukui function is not the only factor to determine the selectivity of a chemical reaction, while the principle of hard and soft acid and base in a local sense can be used to understand this kind of reactivity.

Key words: Atom-bond electronegativity equalization method, Principle of hard and soft acid and base, Fukui function, Chemical reactivity