Resonances in the Entrance Channel of the Elementary Chemical Reaction of Fluorine and Methane

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.Fil: Westerman, Till. Universitat Bielefeld; AlemaniaFil: Kim, Jongjin B.. University of California at Berkeley; Estados UnidosFil: Weichman, Marissa L.. University of California at Berkeley; Estados UnidosFil: Hock, Christian. University of California at Berkeley; Estados UnidosFil: Yacovitch, Tara I.. University of California at Berkeley; Estados UnidosFil: Palma, Juliana Isabel. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Universidad Nacional de Quilmes. Departamento de Ciencia y Tecnología; ArgentinaFil: Neumark, Daniel N.. University of California at Berkeley; Estados UnidosFil: Manthe, Uwe. Universitat Bielefeld; Alemani