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Article
The Potential Energy Surface of Xenon Dichloride
The Journal of Physical Chemistry (1993)
  • Nancy A. Richardson
  • Michael B Hall
Abstract
Multireference configuration-interaction calculations with the Davidson size-consistency correction are used to calculate the potential energy surface of XeCl2. The van der Waals complex is found to be the most stable species. The linear XeCl2 molecule is bound by 8.0 kcal/mol relative to the dissociated atoms, but is at least 38 kcal/mol less stable than the van der Waals complex. In addition, no stable triangular intermediate is found to exist at this level of calculation.
Publication Date
October, 1993
DOI
10.1021/j100144a009
Citation Information
Nancy A. Richardson and Michael B Hall. "The Potential Energy Surface of Xenon Dichloride" The Journal of Physical Chemistry Vol. 97 (1993) p. 10952 - 10954
Available at: http://works.bepress.com/nancy_richardson/20/