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On the ν 1 CO 2 /2 ν 2 CO 2 Resonance in the Complex of Carbon Dioxide with Dimethyl Ether
Author(s) -
Herrebout Wouter A.,
Nagels Nick,
van der Veken Benjamin J.
Publication year - 2009
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.200900414
Subject(s) - fermi resonance , isotopomers , chemistry , krypton , dimethyl ether , raman spectroscopy , ether , deuterium , infrared , resonance (particle physics) , carbon 13 , infrared spectroscopy , dipole , spectral line , argon , computational chemistry , analytical chemistry (journal) , atomic physics , physics , organic chemistry , molecule , quantum mechanics , astronomy , methanol , optics
Infrared and Raman spectra of solutions in liquid argon and krypton containing dimethyl ether or its fully deuterated isotopomer and 12 CO 2 or 13 CO 2 are investigated. The spectra lead to new data on the ν 1 CO 2/2 ν 2 CO 2resonances appearing in the complex of CO 2 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.