An optical model for exchange reactions

被引:28
作者
Rusinek, Isak [1 ]
Roberts, R. E. [1 ]
机构
[1] Indiana Univ, Dept Chem, Bloomington, IN 47401 USA
关键词
D O I
10.1016/0301-0104(73)80054-0
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
An optical model or complex potential has been used in a relatively simple fashion to provide an interpretation of several molecular dynamics experiments. Rather than attempting a quantitative curve fit to the available data using a phenomenological optical potential (which is certainly possible) we have correlated certain physically reasonable features of the complex potential with general trends in the reaction dynamics. As an explicit example, the relationship between the range characteristics of the optical potential and the dependence or the reaction probability upon the kinetic energy of the reactants is derived. Other correlations are also presented. such as the dependence of the reaction probability upon impact parameter and degree of rotational excitation. The power of such a treatment obviously lies in its general applicability to complex systems as well as in its ability to often provide a simple physical understanding of some rather anomalous features of the reaction dynamics.
引用
收藏
页码:392 / 400
页数:9
相关论文
共 27 条
[1]   PHENOMENOLOGICAL ANALYSIS OF REACTIVE SCATTERING [J].
BERNSTEIN, RB ;
LEVINE, RD .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (09) :3872-+
[2]  
BLALS NC, 1973, J CHEM PHYS, V58, P1090
[3]   TRAJECTORY STUDIES OF HOT-ATOM REACTIONS .1. TRITIUM AND METHANE [J].
BUNKER, DL ;
PATTENGILL, MD .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (08) :3041-+
[4]   RB+CH3I- EMPIRICALLY DETERMINED POTENTIAL AND PREDICTED CROSS-SECTIONS FOR REACTIVE SCATTERING [J].
BUNKER, DL ;
GORING, EA .
CHEMICAL PHYSICS LETTERS, 1972, 15 (04) :521-&
[5]   TRAJECTORY STUDIES OF ATOMIC RECOMBINATION REACTIONS .2. ENERGY-TRANSFER MECHANISM AND NONEQUILIBRIUM EFFECTS [J].
CLARKE, AG ;
BURNS, G .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (09) :4636-&
[6]  
EU BC, 1967, DISCUSS FARADAY SOC, P39, DOI 10.1039/df9674400039
[7]   TRANSLATIONAL ENERGY-DEPENDENCE OF REACTION CROSS-SECTION FOR K+CH3I-]KI+CH3 FROM 0.1 TO 1 EV (CM) [J].
GERSH, ME ;
BERNSTEIN, RB .
JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (12) :6131-+
[8]   OPTICAL MODEL ANALYSIS OF NONREACTIVE COLLISIONS OF REACTIVE MOLECULES - SCATTERING OF K, RB, AND CS FROM CCL4, CH3I, AND SNCL4 [J].
HARRIS, RM ;
WILSON, JF .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (05) :2088-&
[9]   CLASSICAL TRAJECTORY ANALYSIS OF REACTION F+H2-]HF+H [J].
JAFFE, RL ;
ANDERSON, JB .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (05) :2224-&
[10]   EXCHANGE REACTIONS WITH ACTIVATION ENERGY .I. SIMPLE BARRIER POTENTIAL FOR (H,H2) [J].
KARPLUS, M ;
SHARMA, RD .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (09) :3259-&