Acta Phys. -Chim. Sin. ›› 1998, Vol. 14 ›› Issue (02): 127-130.doi: 10.3866/PKU.WHXB19980206

• ARTICLE • Previous Articles     Next Articles

Theoretical Study of the Reactivity of the Addition of Radicals to Fluoro-ethylenes

Wang Gui-Chang, Pan Yin-Ming, Cai Zun-Sheng, Zhao Xue-Zhuang   

  1. Chemistry Department of Nankai University,Tianjin 300071
  • Received:1997-04-23 Revised:1997-08-04 Published:1998-02-15
  • Contact: Zhao Xue-Zhuang

Abstract:

In this paper the reactivity of radical -- molecular addition reaction is studied interms of AM1 semi- empirical method and the Lewis acid- base theory. The results suggest thatthe reactivity of such reactions is determined mainly by the perturbation energy between the tworeactants while the electrostatic energy between charges has only a small effect on it. In addition,it is found that there is a strong interaction between the two reaction center atoms.

Key words: Addition reaction, Activation energy, AMl, Lewis acid-base theory