High resolution study of the H+D-2->HD+D reaction dynamics at a collision energy of 2.2 eV

被引:41
作者
Wrede, E
Schnieder, L
Welge, KH
Aoiz, FJ
Banares, L
Herrero, VJ
机构
[1] UNIV COMPLUTENSE,FAC QUIM,DEPT QUIM FIS,E-28040 MADRID,SPAIN
[2] CSIC,INST ESTRUCT MAT,E-28006 MADRID,SPAIN
关键词
D O I
10.1016/S0009-2614(96)01416-9
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
The reactivity of H + D-2(v=0, j=0) --> HD(v',j') + D has been investigated in a high resolution crossed molecular beam experiment at a collision energy of 2.2 eV. Time-of-flight (TOF) spectra of D atoms at different laboratory (LAB) scattering angles and their total angular distribution were measured using the technique of Rydberg atom TOF spectroscopy. The resolution of this technique allows the identification of individual rovibrational states of the corresponding HD product molecule at the different LAB angles. A detailed simulation of the experimental measurements has been performed by using state resolved differential cross sections from quasiclassical trajectory (QCT) calculations on the Liu-Siegbahn-Truhlar-Horowitz (LSTH) and on the double-many-body-expansion (DMBE) potential energy surfaces (PES). A general good agreement between experiment and theory is found, although there are some discrepancies which are discussed.
引用
收藏
页码:129 / 136
页数:8
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