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State-Selected Reaction of Muonium with Vibrationally Excited H-2

TitleState-Selected Reaction of Muonium with Vibrationally Excited H-2
Publication TypeJournal Article
Year of Publication2012
AuthorsBakule, P, Fleming, DG, Sukhorukov, O, Ishida, K, Pratt, F, Momose, T, Torikai, E, Mielke, SL, Garrett, BC, Peterson, KA, Schatz, GC, Truhlar, DG
JournalJOURNAL OF PHYSICAL CHEMISTRY LETTERS
Volume3
Pagination2755-2760
Date PublishedOCT 4
ISSN1948-7185
Abstract

We report a new advance in the study of muonium (Mu) reactivity; specifically, we report the rate constant for the Mu + H-2(vibrational quantum number n = 1) reaction determined by measurements at 300 K and by converged quantum mechanical calculations. Comparisons are made with earlier results for D + H-2 (n = 1) and with the corresponding thermal reaction rates. The measurements are a sensitive probe of the high-curvature region in the entrance valley of the potential energy surface (PES) and thus provide a qualitatively different probe of the PES than that provided by any previous experiment.

DOI10.1021/jz3011496