| Abstract
| - The structure, vibrational frequencies, and rotational constantshave been determined using ab initio methodsof all stable conformers of Cl2O3.Contrary to previous studies, only four structures remained stableat higherlevels of theory. The most stable structure, ClOCl(O)O, couldbe formed from the three-body reactions ClO+ OClO + M → ClOCl(O)O + M and Cl + ClO3 +M → ClOCl(O)O + M. The heat of reaction fortheseprocesses was determined to be -10.9 and −37.7 kcalmol-1, respectively. The internalrotation barrier forthis structure is found to be 2.4 kcal mol-1,with a shallow minimum in the Cl‘OClO‘ dihedral angle.Theresults are compared with experimental measurements and othertheoretical calculations.
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