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

Chemistry (Twin Cities)

Research output: Contribution to journal › Article › peer-review

25 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

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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.\}",

year = "2012",

month = oct,

day = "4",

doi = "10.1021/jz3011496",

language = "English (US)",

volume = "3",

pages = "2755--2760",

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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DO - 10.1021/jz3011496

M3 - Article

AN - SCOPUS:84867155079

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VL - 3

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EP - 2760

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

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