Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5375789 | Chemical Physics | 2008 | 12 Pages |
Abstract
The lowest electronic state found for this system is the unsymmetrical 3Aâ³ (CS) form, where the asymmetry allows a lower energy channel towards dissociation. At this level of theoretical study, the dissociation energy of Cl2O â Cl + OCl is 1.382 eV. A series of low-lying singlet and triplet states with either C2V or Dâh symmetry were also determined; in the former, the bond angle in particularly variable with the electronic state.
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Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Michael H. Palmer, Alistair D. Nelson,