Parthiban, S and Raghunandan, BN and Sumathi, R (1995) Ab initio study of the molecular structure and vibrational spectra of dichlorine hexoxide and its significance to stratospheric ozone depletion. In: Chemical Physics, 199 (2-3). pp. 183-193.
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Abstract
Five minimum energy structures have been identified for dichlorine hexoxide and ab initio calculations have been performed on these isomers at the 6-31G* and MP2/6-31G* levels. Among the five structures, the oxygen-bridged structure and a symmetrical dimer containing a C1-C1 bond were found to be stable. Normal mode analysis has been carded out on the stable conformers. The relative strength of the $O_3C1-O$ and $O-C10_2$ bonds of the oxygen-bridged structure is discussed on the basis of their vibrational frequencies. In addition, the paper focuses attention on the great importance of the reaction $2OC10 + 20_3\rightarrow C1_20_6+20_2$. The implications of these results to the chemistry of stratospheric ozone depletion are delineated.
Item Type: | Journal Article |
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Publication: | Chemical Physics |
Publisher: | Elsevier |
Additional Information: | Copyright of this article belongs to Elsevier. |
Department/Centre: | Division of Mechanical Sciences > Aerospace Engineering(Formerly Aeronautical Engineering) Division of Chemical Sciences > Inorganic & Physical Chemistry |
Date Deposited: | 21 May 2007 |
Last Modified: | 19 Sep 2010 04:35 |
URI: | http://eprints.iisc.ac.in/id/eprint/10007 |
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