On the ν1/2 ν2 Resonance in the Complex of Carbon Dioxide with Dimethyl Ether |
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Authors: | Wouter A Herrebout Prof Nick Nagels Benjamin J van der Veken Prof |
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Institution: | Department of Chemistry, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp (Belgium), Fax: (+32)?3?265?3220 |
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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 ν1/2 ν2 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. |
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Keywords: | ab initio calculations carbon dioxide cryosolutions Darling‐Dennison resonance Fermi resonance |
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