Knowledge Bank

Ab initio calculations for $CO2-N2O$ equilibrium structures have been done on SCFHF, MP2, and MP4 levels with a 6-311$g\ast$ basis set. The planar slipped parallel geometry with $N2O$ oxygen atom close to $CO2$ fragment was found to be the most stable one. The molecular parameters, spectroscopic constants, and stabilization energies were compared to the corresponding data on the ($CO2)2$ and ($N2O)2$ van der Waals dimers as well as to the experimental results obtained in the laboratory by high resolution IR spectroscopy in a supersonic expansion. The other features of intermolecular potential for the $CO2-N2O$ system will be also discussed.