Resonances in the Entrance Channel of the Elementary Chemical Reaction of Fluorine and Methane
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.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Dec 04, 2013
- Source ID
- 10.1002/ange.201307822
Entities
People
- Christian Hock
- Daniel Neumark
- Jongjin B. Kim
- Juliana Palma
- Marissa L Weichman
- Tara I Yacovitch
- Till Westermann
- Uwe Manthe
Organizations
- Air Force Office of Scientific Research
- Alexander von Humboldt Foundation
- German Research Foundation
- National Science Foundation