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Thermochemical stabilities and vibrational spectra of isomers of the chlorine oxide dimerMolecular orbital calculations were performed to determine the relative thermochemical stabilities and IR vibrational spectra of isomers of the ClO dimer. Two straight-chain isomers (ClOOCl and ClOClO) and one branched species (ClClO2) were identified as energy minima on the Cl2O2 potential surface. It is shown that ClOOCl and ClClO2 are comparable in terms of stability, while ClOClO is about 11 kcal/mol higher in energy. The IR spectra obtained by Molina and Molina (1987) as a result of the reaction of chlorine atoms with ClO precursors are consistent with the production of the two most stable forms of Cl2O2.
Document ID
19880060583
Acquisition Source
Legacy CDMS
Document Type
Reprint (Version printed in journal)
Authors
Mcgrath, M. P.
(California Univ. Irvine, CA, United States)
Clemitshaw, K. C.
(California Univ. Irvine, CA, United States)
Rowland, F. S.
(California Univ. Irvine, CA, United States)
Hehre, W. J.
(California, University Irvine, United States)
Date Acquired
August 13, 2013
Publication Date
August 1, 1988
Publication Information
Publication: Geophysical Research Letters
Volume: 15
ISSN: 0094-8276
Subject Category
Geophysics
Accession Number
88A47810
Distribution Limits
Public
Copyright
Other

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