Mechanism and control of the F+H2 reaction at low and ultralow collision energies

被引:33
作者
Aldegunde, J. [1 ]
Alvarino, J. M.
de Miranda, M. P.
Rabanos, V. Saez
Aoiz, F. J.
机构
[1] Univ Salamanca, Dept Quim Fis, Fac Ciencias Quim, E-37008 Salamanca, Spain
[2] Univ Leeds, Sch Chem, Leeds LS2 9JT, W Yorkshire, England
[3] Univ Politecn Madrid, Dept Quim & Bioquim, Escuela Tecn Super Ingn Montes, E-28040 Madrid, Spain
[4] Univ Complutense, Dept Quim Fis, Fac Quim, E-28040 Madrid, Spain
[5] Univ Oxford, Dept Chem, Oxford OX1 3QZ, England
关键词
D O I
10.1063/1.2212418
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
This article uses theoretical methods to study the dependence on stereodynamical factors of the mechanism and reactivity of the F+H-2 reaction at low and ultralow collision energies. The impact of polarization of the H-2 reactant on total and state-to-state integral and differential cross sections is analyzed. This leads to detailed pictures of the reaction mechanism in the cold and ultracold regimes, accounting, in particular, for distinctions associated with the various product states and scattering angles. The extent to which selection of reactant polarization allows for external control of the reactivity and reaction mechanism is assessed. This reveals that even the simplest of reactant polarization schemes allows for fine, product state-selective control of differential and (for reactions involving more than a single, zero orbital angular momentum partial wave) integral cross sections. (c) 2006 American Institute of Physics.
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页数:12
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