Title: Barrierless reactions between two closed-shell molecules. I. Dynamics of F(2)+CH(3)SCH(3) reaction
Authors: Lu, Yu-Ju
Lee, Lance
Pan, Jun-Wei
Xie, Tingxian
Witek, Henryk A.
Lin, Jim J.
Department of Applied Chemistry
Institute of Molecular science
Issue Date: 14-Mar-2008
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+CH(2)SFCH(3) and F+CH(3)SFCH(3), 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(CH(3))(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. (c) 2008 American Institute of Physics.
URI: http://dx.doi.org/10.1063/1.2837801
ISSN: 0021-9606
DOI: 10.1063/1.2837801
Volume: 128
Issue: 10
End Page: 
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