State-Selected Reaction of Muonium with Vibrationally Excited H2

被引:22
作者
Bakule, Pavel [2 ]
Fleming, Donald G. [1 ,3 ]
Sukhorukov, Oleksandr [4 ]
Ishida, Katsuhiko [5 ]
Pratt, Francis [2 ]
Momose, Takamasa [3 ]
Torikai, Eiko [6 ]
Mielke, Steven L. [7 ,8 ]
Garrett, Bruce C. [9 ]
Peterson, Kirk A. [10 ]
Schatz, George C. [11 ]
Truhlar, Donald G. [7 ,8 ]
机构
[1] TRIUMF, Vancouver, BC V6T 2A3, Canada
[2] RIKEN, RAL Muon Facil, Rutherford Appleton Lab, Wako, Saitama, Japan
[3] Univ British Columbia, Dept Chem, Vancouver, BC V6T 1Z1, Canada
[4] Univ Alberta, Dept Chem, Edmonton, AB T6G 2G2, Canada
[5] RIKEN, RIKEN Nishina Ctr Accelerator Based Sci, Wako, Saitama 3510198, Japan
[6] Yamanashi Univ, Fac Engn, Kofu, Yamanashi 4008511, Japan
[7] Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA
[8] Univ Minnesota, Supercomp Inst, Minneapolis, MN 55455 USA
[9] Pacific NW Natl Lab, Richland, WA 99352 USA
[10] Washington State Univ, Dept Chem, Pullman, WA 99164 USA
[11] Northwestern Univ, Dept Chem, Evanston, IL 60208 USA
基金
加拿大自然科学与工程研究理事会; 日本学术振兴会; 美国国家科学基金会;
关键词
CHEMICAL-REACTION DYNAMICS; POTENTIAL-ENERGY SURFACES; THERMAL RATE CONSTANTS; SCATTERING CALCULATIONS; H+H-2 REACTION; REACTION-RATES; GAS-PHASE; RELAXATION; KINETICS; ATOM;
D O I
10.1021/jz3011496
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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.
引用
收藏
页码:2755 / 2760
页数:6
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