首页 | 本学科首页   官方微博 | 高级检索  
     检索      


On the ν1/2 ν2 Resonance in the Complex of Carbon Dioxide with Dimethyl Ether
Authors:Wouter A Herrebout Prof  Nick Nagels  Benjamin J van der Veken Prof
Institution:Department of Chemistry, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp (Belgium), Fax: (+32)?3?265?3220
Abstract:Infrared and Raman spectra of solutions in liquid argon and krypton containing dimethyl ether or its fully deuterated isotopomer and 12CO2 or 13CO2 are investigated. The spectra lead to new data on the ν1urn:x-wiley:14394235:media:CPHC200900414:tex2gif-sup-5/2 ν2urn:x-wiley:14394235:media:CPHC200900414:tex2gif-sup-6 resonances appearing in the complex of CO2 with the ether. The experimental data, and their interpretation, is supported by MP2/6‐311++G(2d,2p) calculations of the cubic and quartic force constants and of the first and higher order dipole moment derivatives required for the modelling of the Fermi and Darling‐Dennison resonances observed.
Keywords:ab initio calculations  carbon dioxide  cryosolutions  Darling‐Dennison resonance  Fermi resonance
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