Quantum  topological study oin the elimination reaction of fluoroethane

Acta Chimica Sinica ›› 1993, Vol. 51 ›› Issue (6): 619-621. Previous Articles Next Articles

Original Articles

氟代乙烷消除反应的量子拓扑研究

李庆明;傅孝愿;曹维良;张敬畅

北京师范大学化学系;北京化工学院应用化学系

发布日期:1993-06-15

Quantum topological study oin the elimination reaction of fluoroethane

LI QINGMING;FU XIAOYUAN;CAO WEILIANG;ZHANG JINGCHANG

Published:1993-06-15

Abstract

IRC of elimination reaction of fluoroethane has been traced and its topol. properties of the charge d. of the system on IRC path has been studied. The titled reaction proceeds through a four centered transition state and some pos. charge exists on a carbon atoms at TS (transition state), C-F bond is a ionic bond and it breaks faster than that of C-H bond.

Key words: QUANTUM CHEMISTRY, ELIMINATION REACTION, FLUOROHYDROCARBON, TOPOLOGY, ETHANE P, TRANSITION STATE, IRC

CLC Number:

O641

Cite this article

LI QINGMING;FU XIAOYUAN;CAO WEILIANG;ZHANG JINGCHANG. Quantum topological study oin the elimination reaction of fluoroethane[J]. Acta Chimica Sinica, 1993, 51(6): 619-621.

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氟代乙烷消除反应的量子拓扑研究

Quantum topological study oin the elimination reaction of fluoroethane

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