The search for resonance signatures in H+D2 reaction dynamics

被引:27
作者
Chao, SD [1 ]
Skodje, RT [1 ]
机构
[1] Univ Colorado, Dept Chem & Biochem, Boulder, CO 80309 USA
基金
美国国家科学基金会;
关键词
D O I
10.1016/S0009-2614(01)00105-1
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
To investigate the recent report of the observation of a reactive resonance in the title reaction, we have calculated the ro-vibrationally state-resolved integral cross-sections (ICS) and differential cross-sections (DCS), as well as the vibrational branching ratios for the H + D-2(nu = j = 0) --> HD(nu',j') + D reaction. Oscillatory structure occurring in the state-to-state reaction probabilities does survive partial wave averaging to appear in the integral cross-sections for low j'-values, although not significantly for the j' = 7 state recently reported. The resonance picture interpretation of the oscillations is shown to be problematic. (C) 2001 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:364 / 370
页数:7
相关论文
共 25 条
[1]   Analysis of the resonance in H+D2→HD (ν′=3)+D [J].
Allison, TC ;
Friedman, RS ;
Kaufman, DJ ;
Truhlar, DG .
CHEMICAL PHYSICS LETTERS, 2000, 327 (5-6) :439-445
[2]   QUASI-CLASSICAL STATE TO STATE REACTION CROSS-SECTIONS FOR D+H2(V=0, J=0)-]HD(V',J')+H - FORMATION AND CHARACTERISTICS OF SHORT-LIVED COLLISION COMPLEXES [J].
AOIZ, FJ ;
HERRERO, VJ ;
RABANOS, VS .
JOURNAL OF CHEMICAL PHYSICS, 1992, 97 (10) :7423-7436
[3]   A refined H-3 potential energy surface [J].
Boothroyd, AI ;
Keogh, WJ ;
Martin, PG ;
Peterson, MR .
JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (18) :7139-7152
[4]   The case for a reactive resonance in F+H2 [J].
Chao, SD ;
Skodje, RT .
JOURNAL OF CHEMICAL PHYSICS, 2000, 113 (09) :3487-3491
[5]   QUANTUM-DYNAMIC CHARACTERIZATION OF REACTIVE TRANSITION-STATES [J].
CHATFIELD, DC ;
FRIEDMAN, RS ;
TRUHLAR, DG ;
SCHWENKE, DW .
FARADAY DISCUSSIONS, 1991, 91 :289-304
[6]   SYMMETRY ANALYSIS OF ACCURATE H+H2 RESONANCES FOR LOW PARTIAL-WAVES [J].
CUCCARO, SA ;
HIPES, PG ;
KUPPERMANN, A .
CHEMICAL PHYSICS LETTERS, 1989, 157 (05) :440-446
[7]   Reactive excitation functions for F plus p-H2/n-H2/D2 and the vibrational branching for F+HD [J].
Dong, F ;
Lee, SH ;
Liu, K .
JOURNAL OF CHEMICAL PHYSICS, 2000, 113 (09) :3633-3640
[8]  
Fernández-Alonso F, 2000, ANGEW CHEM INT EDIT, V39, P2748, DOI 10.1002/1521-3773(20000804)39:15<2748::AID-ANIE2748>3.0.CO
[9]  
2-8
[10]   Observation of predicted resonance structure in the H+D2→HD(v′=0,j′=7)+D reaction at a collision energy of 0.94 eV [J].
Kendrick, BK ;
Jayasinghe, L ;
Moser, S ;
Auzinsh, M ;
Shafer-Ray, N .
PHYSICAL REVIEW LETTERS, 2000, 84 (19) :4325-4328