Resonances in the Entrance Channel of the Elementary Chemical Reaction of Fluorine and Methane
- 4 December 2013
- journal article
- research article
- Published by Wiley in Angewandte Chemie International Edition
- Vol. 53 (4) , 1122-1126
Abstract
Extending the fully quantum‐state‐resolved description of elementary chemical reactions beyond three or four atom systems is a crucial issue in fundamental chemical research. Reactions of methane with F, Cl, H or O are key examples that have been studied prominently. In particular, reactive resonances and nonintuitive mode‐selective chemistry have been reported in experimental studies for the F+CH4→HF+CH3 reaction. By investigating this reaction using transition‐state spectroscopy, this joint theoretical and experimental study provides a clear picture of resonances in the F+CH4 system. This picture is deduced from high‐resolution slow electron velocity‐map imaging (SEVI) spectra and accurate full‐dimensional (12D) quantum dynamics simulations in the picosecond regime.Keywords
Funding Information
- Air Force Office of Scientific Research (FA9550-12-1-0160)
- Defense University Research Instrumentation Program (FA9550-11-1-0300)
- National Science Foundation
- Deutsche Forschungsgemeinschaft
- Alexander von Humboldt Foundation
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