STATE-SELECTED CHEMICAL-REACTION DYNAMICS AT THE S-MATRIX LEVEL - FINAL-STATE SPECIFICITIES OF NEAR-THRESHOLD PROCESSES AT LOW AND HIGH-ENERGIES

被引:8
作者
CHATFIELD, DC
TRUHLAR, DG
SCHWENKE, DW
机构
[1] UNIV MINNESOTA, ARMY HIGH PERFORMANCE COMP RES CTR, MINNEAPOLIS, MN 55455 USA
[2] NASA, AMES RES CTR, MOFFETT FIELD, CA 94035 USA
关键词
D O I
10.1063/1.462824
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
State-to-state reaction probabilities are found to be highly final-state specific at state-selected threshold energies for the reactions O + H-2 --> OH + H and H + H-2 --> H-2 + H. The study includes initial rotational states with quantum numbers 0-15, and the specificity is especially dramatic for the more highly rotationally excited reactants. The analysis is based on accurate quantum mechanical reactive scattering calculations. Final-state specificity is shown in general to increase with the rotational quantum number of the reactant diatom, and the trends are confirmed for both zero and nonzero values of the total angular momentum.
引用
收藏
页码:4313 / 4323
页数:11
相关论文
共 31 条
[1]   QUANTUM LOCALIZATION OVER A POTENTIAL BARRIER [J].
ATABEK, O ;
LEFEBVRE, R ;
SUCRE, MG ;
GOMEZLLORENTE, J ;
TAYLOR, H .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1991, 40 (02) :211-224
[2]  
Blais N. C., 1981, POTENTIAL ENERGY SUR, P431
[3]  
BLAIS NC, 1982, J PHYS CHEM-US, V6, P638
[4]   BENCHMARK CALCULATIONS OF THERMAL-REACTION RATES .1. QUANTAL SCATTERING-THEORY [J].
CHATFIELD, DC ;
TRUHLAR, DG ;
SCHWENKE, DW .
JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (03) :2040-2044
[5]   QUANTUM-DYNAMIC CHARACTERIZATION OF REACTIVE TRANSITION-STATES [J].
CHATFIELD, DC ;
FRIEDMAN, RS ;
TRUHLAR, DG ;
SCHWENKE, DW .
FARADAY DISCUSSIONS, 1991, 91 :289-304
[6]   GLOBAL CONTROL OF SUPRATHRESHOLD REACTIVITY BY QUANTIZED TRANSITION-STATES [J].
CHATFIELD, DC ;
FRIEDMAN, RS ;
TRUHLAR, DG ;
GARRETT, BC ;
SCHWENKE, DW .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1991, 113 (02) :486-494
[7]  
CHATFIELD DC, IN PRESS
[8]  
CHATFIELD DC, IN PRESS J PHYS CHEM
[9]   A QUASICLASSICAL TRAJECTORY STUDY OF MOLECULAR-ENERGY TRANSFER IN H2-HE COLLISIONS [J].
DOVE, JE ;
RAYNOR, S ;
TEITELBAUM, H .
CHEMICAL PHYSICS, 1980, 50 (02) :175-194
[10]   CHEMICAL-REACTION THRESHOLDS ARE RESONANCES [J].
FRIEDMAN, RS ;
TRUHLAR, DG .
CHEMICAL PHYSICS LETTERS, 1991, 183 (06) :539-546