Journal of Physical Chemistry A, Vol.104, No.16, 3826-3828, 2000
Calculations for XeOn (n=2-4): Could the xenon dioxide molecule exist?
Pseudopotential ab initio calculations of the potential energy surface of the XeO2 molecule have been carried out and a local minimum has been located. Geometries of the experimentally known XeO3 and XeO4 species have also been optimized, and the vibrational frequencies calculated for ail three species. The possibilities for synthesizing XeO2 are discussed in the light of these results.