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Degradation of alternative halocarbons. Decomposition pathways of trifluoroethoxy radicals

โœ Scribed by J.S. Francisco; Z. Li; A. Bradley; A.E.W. Knight

Publisher
Elsevier Science
Year
1993
Tongue
English
Weight
590 KB
Volume
214
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

The decomposition pathways of 2,2,2-trifluoroethoxy radicals, CFrCXYO (where X, Y =H, For Cl) are studied using ab initio molecular orbital theory. The ab initio calculations suggest that chlorine atom elimination reactions from CF&XYO are low activation barrier processes. When CFsCXYO contains no chlorine, carbon-carbon bond breaking processes dominate over fluorine atom or hydrogen atom dissociation processes. The atmospheric implications of these calculations are discussed.

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