Resonances in the Entrance Channel of the Elementary Chemical Reaction of Fluorine and Methane1. Issue 4 (4th December 2013)

• Record Type: Journal Article
• Authors: Westermann, Till; Kim, Jongjin B.; Weichman, Marissa L.; Hock, Christian; Yacovitch, Tara I.; Palma, Juliana; Neumark, Daniel M.; Manthe, Uwe
• Is Part Of: Angewandte Chemie international edition. Volume 53:Issue 4(2014)
• Page Start: 1122
• Page End: 1126
• Publication Date: 2013-12-04
• Subjects: Chemistry -- Periodicals; 540
• DOI: 10.1002/anie.201307822
• Languages: English
• ISSNs: 1433-7851

Abstract

<abstract abstract-type="main" xml:lang="en"> <title>Abstract</title> <p>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.</p> </abstract>