Barrierless reactions between two closed-shell molecules. I. Dynamics of F2 +C H3 SC H3 reaction

Yu Ju Lu*, Lance Lee, Jun Wei Pan, Tingxian Xie, Henryk A. Witek, Jim J. Lin

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

17 Scopus citations

Abstract

A detailed experimental and theoretical investigation of the first-reported barrierless reaction between two closed-shell molecules [J. Chem. Phys. 127, 101101 (2007)] is presented. The translational energy and angular distributions of two product channels, HF+C H2 SFC H3 and F+C H3 SFC H3, determined at several collision energies, have been analyzed to reveal the dynamics of the studied reaction. Detailed analysis of the experimental and computational results supports the proposed reaction mechanism involving a short-lived F-F-S (C H3)2 intermediate, which can be formed without any activation energy. Other possible reaction mechanisms have been discriminated. The decay of the intermediate and competition between the two product channels have been discussed.

Original languageEnglish
Article number104317
JournalJournal of Chemical Physics
Volume128
Issue number10
DOIs
StatePublished - 14 Mar 2008

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