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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >2D-Measurement of Penning Ionization Cross Section upon Molecular Orientation and Collision Energy in Ar(~3P(2,0)) + CHCl_3 Crossed Beam Reaction
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2D-Measurement of Penning Ionization Cross Section upon Molecular Orientation and Collision Energy in Ar(~3P(2,0)) + CHCl_3 Crossed Beam Reaction

机译：Ar（〜3P（2,0））+ CHCl_3交叉束反应中分子取向和碰撞能的潘宁电离截面的二维测量

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摘要

The Penning ionization cross scetion of Ar~* + CHCl_3 crossed beam reaction is determined as the function of both molecular orientation and relative collision energy using otiented CHCI3 molecular beam and TOP measurement. We find that the steric opacity function at low collision energies is well correlated to the exteriort electron density distribution of the CHCI3 molecular orbital that plays a key role in the electron exchange. At f high collision energies, however, the reactivity along the molecular axis becomes favorable while the sideways ; approach on the other hand becomes unfavorable. The result of our ab initio calculation reveals that this , collision energy dependence of the sideways approach shows clear discrepancy with the generally accepted propensity rule for repulsive interaction potential. We propose here that this discrepancy can be ascribed to the dependent competition of product branching between Penning ionization and that neutral dissociation varies as collision energy.
机译：使用定向的CHCl3分子束和TOP测量，确定Ar〜* + CHCl_3交叉束反应的Penning电离截面是分子取向和相对碰撞能量的函数。我们发现，在低碰撞能量下的空间不透明功能与在电子交换中起关键作用的CHCI3分子轨道的外部电子密度分布密切相关。然而，在较高的碰撞能量下，沿着分子轴的反应性在向侧面移动时变得有利。另一方面，这种方法变得不利。我们的从头算的结果表明，这种侧向碰撞能量的依赖性显示出与公认的排斥相互作用电位倾向规则的明显差异。我们在这里提出，这种差异可以归因于彭宁电离之间产物支链的依赖性竞争，并且中性离解随碰撞能量而变化。

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