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
相关论文
共 51 条
[31]   Benchmark calculations of the complete configuration-interaction limit of Born-Oppenheimer diagonal corrections to the saddle points of isotopomers of the H+H2 reaction -: art. no. 224313 [J].
Mielke, SL ;
Schwenke, DW ;
Peterson, KA .
JOURNAL OF CHEMICAL PHYSICS, 2005, 122 (22)
[32]   A hierarchical family of global analytic Born-Oppenheimer potential energy surfaces for the H+H2 reaction ranging in quality from double-zeta to the complete basis set limit [J].
Mielke, SL ;
Garrett, BC ;
Peterson, KA .
JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (10) :4142-4161
[33]   H+H2 thermal reaction:: A convergence of theory and experiment -: art. no. 063201 [J].
Mielke, SL ;
Peterson, KA ;
Schwenke, DW ;
Garrett, BC ;
Truhlar, DG ;
Michael, JV ;
Su, MC ;
Sutherland, JW .
PHYSICAL REVIEW LETTERS, 2003, 91 (06)
[34]   Functional Representation for the Born-Oppenheimer Diagonal Correction and Born-Huang Adiabatic Potential Energy Surfaces for Isotopomers of H3 [J].
Mielke, Steven L. ;
Schwenke, David W. ;
Schatz, George C. ;
Garrett, Bruce C. ;
Peterson, Kirk A. .
JOURNAL OF PHYSICAL CHEMISTRY A, 2009, 113 (16) :4479-4488
[35]   RATE CONSTANTS FOR REACTION D+H2=DH+H AT LOW-TEMPERATURES USING ESR DETECTION [J].
MITCHELL, DN ;
LEROY, DJ .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (08) :3449-3453
[36]   Reaction kinetics of muonium with N2O in the gas phase [J].
Pan, JJ ;
Arseneau, DJ ;
Senba, M ;
Shelly, M ;
Fleming, DG .
JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (45) :8470-8479
[37]   EXPERIMENTAL TESTS OF REACTION-RATE THEORY - MU+H2 AND MU+D2 [J].
REID, ID ;
GARNER, DM ;
LEE, LY ;
SENBA, M ;
ARSENEAU, DJ ;
FLEMING, DG .
JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (10) :5578-5583
[38]   KINETICS OF REACTION D+H2=HD+H [J].
RIDLEY, BA ;
SCHULZ, WR ;
LEROY, DJ .
JOURNAL OF CHEMICAL PHYSICS, 1966, 44 (09) :3344-&
[39]   Muon spin resonance - A variant of magnetic resonance [J].
Roduner, E .
APPLIED MAGNETIC RESONANCE, 1997, 13 (1-2) :1-14
[40]   VARIATIONAL REACTIVE SCATTERING CALCULATIONS - COMPUTATIONAL OPTIMIZATION STRATEGIES [J].
SCHWENKE, DW ;
MIELKE, SL ;
TRUHLAR, DG .
THEORETICA CHIMICA ACTA, 1991, 79 (3-4) :241-269