On the nu(1) (CO(2) )/2 nu(2) (CO(2) ) resonance in the complex of carbon dioxide with dimethyl ether.
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 nu(1) (CO(2) )/2 nu(2) (CO(2) ) resonances 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.
Herrebout
Wouter A
WA
Department of Chemistry, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp, Belgium.
Nagels
Nick
N
van der Veken
Benjamin J
BJ