• 中文
    • English
  • English 
    • 中文
    • English
  • Login
View Item 
  •   DSpace Home
  • 化学化工学院
  • 化学化工-已发表论文
  • View Item
  •   DSpace Home
  • 化学化工学院
  • 化学化工-已发表论文
  • View Item
JavaScript is disabled for your browser. Some features of this site may not work without it.

Chemical bonding in XeF2, XeF4, KrF2, KrF4, RnF2, XeCl2, and XeBr2: From the gas phase to the solid state

Thumbnail
Full Text
Chemical bonding in XeF2, XeF4, KrF2, KrF4, RnF2, XeCl2, and XeBr2 From the gas phase to the solid state.htm (392bytes)
Date
1998-12-03
Author
Liao, MS
Zhang, QE
张乾二
Collections
  • 化学化工-已发表论文 [14235]
Show full item record
Abstract
This paper presents a systematic investigation of chemical bonding in a series of noble-gas halides in both the gas phase and the solid state. The crystalline environment was simulated by a cutoff type Madelung potential. Geometries, dissociation energies, force constants, and enthalpies of formation and of sublimation were determined. The calculated properties are in good agreement with available experimental data. The crystal field model is capable of reproducing all significant differences observed between the gas phase and the solid state. KrF4, XeCl2 and XeBr2 are predicted to be rather unstable against molecular dissociation. The stabilities of the dihalides follow the order KrF2 much less than XeF2 < RnF2 and XeF2 much greater than XeCl2 approximate to XeBr2. The calculated trends account for the fact that only the heavier noble gases form compounds and that the electronegativity of the ligand has to be large. The outer polarization orbitals play an important role in the bonding. Relativistic effects on the molecular properties are negligible.
Citation
J. Phys. Chem. A, 1998, 102 (52): 10647–10654
URI
http://dx.doi.org/doi:10.1021/jp9825516
https://dspace.xmu.edu.cn/handle/2288/13281

copyright © 2002-2016  Duraspace  Theme by @mire  厦门大学图书馆  
About | Policies
 

 

Browse

All of DSpaceCommunities & CollectionsBy Issue DateAuthorsTitlesSubjectsThis CollectionBy Issue DateAuthorsTitlesSubjects

My Account

LoginRegister

copyright © 2002-2016  Duraspace  Theme by @mire  厦门大学图书馆  
About | Policies