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The effect of large autoionization decay rates (resonance widths) on cold molecular cross-sections and the reflection phenomenon
Chemical Physics ( IF 2.3 ) Pub Date : 2018-08-31 , DOI: 10.1016/j.chemphys.2018.08.047
Anael Ben-Asher , Edvardas Narevicius , Nimrod Moiseyev

Autoionization resonance states are characterized by a complex potential energy surfaces, where the imaginary part is proportional to the decay rate. Sharp changes in the autoionization decay rates, with respect to the reaction coordinates, introduce reflections. That is, when the autoionization decay rate is very small outside the interaction region and large within it, the reactants will be reflected away from the interaction region. Consequently, the reaction is expected to be suppressed. However, no reflections was observed in the collision of H2 with He in the 3P state [Nature Chemistry 7 (11) (2015) 921–926], for which the autoionization decay rate is very large in the interaction region and it is small elsewhere. In this paper, we theoretically investigate the reflection phenomenon within cold-chemistry collisions. Moreover, we present the conditions for which such reactions will not be suppressed due to reflections.



中文翻译:

大的自电离衰减率(共振宽度)对冷分子截面和反射现象的影响

自电离共振态的特征是具有复杂的势能面,其中虚部与衰减率成正比。相对于反应坐标,自电离衰减速率的急剧变化会引入反射。即,当自电离衰减率在相互作用区域外非常小而在相互作用区域内大时,反应物将被反射离开相互作用区域。因此,期望该反应被抑制。但是,在碰撞中没有观察到反射。H2个He处于3 P状态[Nature Chemistry 7(11)(2015)921–926),其自电离衰减率在相互作用区域非常大,而在其他区域则很小。在本文中,我们从理论上研究了冷化学碰撞中的反射现象。此外,我们提出了不会由于反射而抑制此类反应的条件。

更新日期:2018-11-29
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