Cl HD „v 1; J 1,2... reaction dynamics: Comparison between theory and experiment
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چکیده
Vibrationally state-resolved differential cross sections DCS and product rotational distributions have been measured for the Cl HD(v 1, J 1)→HCl DCl D H reaction at a mean collision energy of 0.065 eV using a photoinitiated reaction ‘‘photoloc’’ technique. The effect of HD reagent rotational alignment in the Cl HD(v 1, J 2) reaction has also been investigated. The experimental results have been compared with exact quantum mechanical and quasiclassical trajectory calculations performed on the G3 potential energy surface of Allison et al. J. Phys. Chem. 100, 13575 1996 . The experimental measurements reveal that the products are predominantly backward and sideways scattered for HCl(v 0) and HCl(v 1), with no forward scattering at the collision energies studied, in quantitative agreement with theoretical predictions. The experimental product rotational distribution for HCl(v 1) also shows excellent agreement with quantum-mechanical calculations, but the measured DCl H to HCl D branching ratio is near unity, which is at variance with the theoretical calculations that predict about 3 times larger yield of HCl D at these collision energies. The reactivity shows a marked dependence on the direction of the HD(v 1, J 2) rotational angular momentum, and experimental measurements of this reagent alignment effect are in good agreement with theoretical predictions. © 2000 American Institute of Physics. S0021-9606 00 02002-X
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تاریخ انتشار 2012