首页 | 本学科首页   官方微博 | 高级检索  
     


Halogen versus halide electronic structure
Authors:Willem-Jan van Zeist  REN Yi & F.Matthias Bickelhaupt
Affiliation:Willem-Jan van Zeist1,REN Yi2 & F.Matthias Bickelhaupt1 1 Department of Theoretical Chemistry , Amsterdam Center for Multiscale Modeling,Scheikundig Laboratorium der Vrije Universiteit,De Boelelaan 1083,NL-1081 HV Amsterdam,The Netherl,s,2 College of Chemistry,Sichuan University,Chengdu 610064,China
Abstract:Halide anions X-are known to show a decreasing proton affinity(PA),as X descends in the periodic table along series F,Cl,Br and I.But it is also well-known that,along this series,the halogen atom X becomes less electronegative(or more electropositive).This corresponds to an increasing energy of the valence np atomic orbital(AO) which,somewhat contradictorily,suggests that the electron donor capability and thus the PA of the halides should increase along the series F,Cl,Br,I.To reconcile these contradictory ...
Keywords:bond theory  halogen  hydrogen-atom affinity  orbital energy  proton affinity  reactivity  
本文献已被 CNKI 等数据库收录!
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号