Ab initio studies of ClOx reactions. IX. Combination and disproportionation reactions of ClO and s-ClO3 radicals

Z. F. Xu, Ming-Chang Lin*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

8 Scopus citations

Abstract

The mechanism for the reaction ClO3+ClO on both triplet and singlet state potential surfaces was presented. The results showed that the barrierless association reaction producing ClOClO3 and two lower barrier O-atom abstraction reaction took place on the single state potential surface. The rate constant calculated by variational transition states showed that the major products were ClOClO3 at low temperature and OClO+ClOO at high temperatures.

Original languageEnglish
Pages (from-to)8897-8904
Number of pages8
JournalJournal of Chemical Physics
Volume119
Issue number17
DOIs
StatePublished - 1 Nov 2003

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