State-selected reaction of muonium with vibrationally excited H 2

Pavel Bakule; Donald G. Fleming; Oleksandr Sukhorukov; Katsuhiko Ishida; Francis Pratt; Takamasa Momose; Eiko Torikai; Steven L. Mielke; Bruce C. Garrett; Kirk A. Peterson; George C. Schatz; Donald G. Truhlar

doi:10.1021/jz3011496

State-selected reaction of muonium with vibrationally excited H ₂

Pavel Bakule, Donald G. Fleming^*, Oleksandr Sukhorukov, Katsuhiko Ishida, Francis Pratt, Takamasa Momose, Eiko Torikai, Steven L. Mielke, Bruce C. Garrett, Kirk A. Peterson, George C. Schatz, Donald G. Truhlar

^*Corresponding author for this work

Chemistry

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24 Scopus citations

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.

Original language	English (US)
Pages (from-to)	2755-2760
Number of pages	6
Journal	Journal of Physical Chemistry Letters
Volume	3
Issue number	19
DOIs	https://doi.org/10.1021/jz3011496
State	Published - Oct 4 2012

ASJC Scopus subject areas

General Materials Science
Physical and Theoretical Chemistry

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title = "State-selected reaction of muonium with vibrationally excited H 2 ",

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.",

author = "Pavel Bakule and Fleming, {Donald G.} and Oleksandr Sukhorukov and Katsuhiko Ishida and Francis Pratt and Takamasa Momose and Eiko Torikai and Mielke, {Steven L.} and Garrett, {Bruce C.} and Peterson, {Kirk A.} and Schatz, {George C.} and Truhlar, {Donald G.}",

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doi = "10.1021/jz3011496",

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journal = "Journal of Physical Chemistry Letters",

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TY - JOUR

T1 - State-selected reaction of muonium with vibrationally excited H 2

AU - Bakule, Pavel

AU - Fleming, Donald G.

AU - Sukhorukov, Oleksandr

AU - Ishida, Katsuhiko

AU - Pratt, Francis

AU - Momose, Takamasa

AU - Torikai, Eiko

AU - Mielke, Steven L.

AU - Garrett, Bruce C.

AU - Peterson, Kirk A.

AU - Schatz, George C.

AU - Truhlar, Donald G.

PY - 2012/10/4

Y1 - 2012/10/4

N2 - 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.

AB - 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.

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JO - Journal of Physical Chemistry Letters

JF - Journal of Physical Chemistry Letters

IS - 19

ER -

State-selected reaction of muonium with vibrationally excited H ₂

Abstract

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