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首页> 外文期刊>The European Physical Journal D >Resonant electron attachment to polar aromatic molecules: consequences for their chemistry in the interstellar medium
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Resonant electron attachment to polar aromatic molecules: consequences for their chemistry in the interstellar medium

机译:共振电子与极性芳香分子的附着:在星际介质中化学反应的结果

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摘要

In this paper we present and discuss the results obtained from ab-initio quantum scattering calculations of the response from neutral aromatic species like C6H5 (phenyl) and C6H4 (benzyne, ortho isomer) to low-energy electron collisions. Our main purpose is to investigate the possible mechanisms that can lead to the final formation of their stable negative ions under astrophysical conditions, by linking low-lying metastable anionic states to bound anionic states. Quantum chemical calculations were also employed to confirm the features of the metastable resonant states found by the scattering calculations, while the role of the permanent dipole moments of both systems on the scattering behaviour for near-threshold electrons is also analysed in some detail. The possible energy redistribution paths for stabilizing both anionic species under ISM conditions are discussed in the conclusions.
机译:在本文中,我们介绍并讨论了从中性芳族物质(如C6H5(苯基)和C6H4(苯并,邻位异构体))对低能电子碰撞的响应的从头算量子散射计算获得的结果。我们的主要目的是通过将低位的亚稳态阴离子状态与键合的阴离子状态联系起来,研究在天体物理条件下最终形成稳定的负离子的可能机理。还使用量子化学计算来确认通过散射计算发现的亚稳态共振态的特征,同时还详细分析了两个系统的永久偶极矩对近阈值电子的散射行为的作用。结论中讨论了在ISM条件下稳定两种阴离子物质的可能能量重新分配路径。

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