Cross-sections for the H+H2O→ OH+H2 and H+D2O→OD+HD abstraction reactions

被引:5
作者
Brouard, M
Marinakis, S
Lago, LR
Quadrini, F
Solaiman, D
Vallance, C
Aoiz, FJ
Bañares, L
Castillo, JF
机构
[1] Univ Oxford, Phys & Theoret Chem Lab, Dept Chem, Oxford OX1 3QZ, England
[2] Univ Complutense, Fac Quim, Dept Quim Fis, E-28040 Madrid, Spain
关键词
D O I
10.1039/b409667c
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
Absolute values of the cross-section for the abstraction reaction between fast H atoms and D2O have been determined experimentally at mean collision energies of 1.83 eV and 2.48 eV. The data support the value for the cross-section recently reported for the H+H2O reaction at 2.46 eV, which was significantly lower than previous measurements. The measurements employ the photodissociation of water as a calibrant for OH(OD) concentration. The OH rotational quantum state population distributions for the fully protonated reaction, as well as those for the photodissociation of water, are shown to be in good agreement with previous work. The measurements are compared with new quasi-classical trajectory calculations and published quantum mechanical scattering calculations using the most recently developed potential energy surface.
引用
收藏
页码:4991 / 4999
页数:9
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