Acta Phys. -Chim. Sin. ›› 1999, Vol. 15 ›› Issue (11): 986-989.doi: 10.3866/PKU.WHXB19991106

• ARTICLE • Previous Articles     Next Articles

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

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