Electron angular distributions and attachment rates in o-Benzyne and Phenyl aromatic molecules: the effect of the permanent dipoles
Electron angular distributions and attachment rates in o-Benzyne and Phenyl aromatic molecules: the effect of the permanent dipoles
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DOI：
10.1140/epjd/e2013-40434-5
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发表时间：
2013-12
期刊：
影响因子：
--
通讯作者：
F. Carelli;F. Gianturco
中科院分区：
文献类型：
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作者：
F. Carelli;F. Gianturco
游离的气相多环芳烃（PAHs）和相关物质目前被认为在星际/星周介质中发挥着重要作用，因为它们被认为对漫射和未识别的红外星际波段都有重要贡献。它们也被认为是星际尘埃的基本块，并提出了几种关于它们的星际/拱星合成的形成机制。因此，在本文中，我们提出并讨论了从从头计算量子散射计算的响应中性极性芳香族单环物种的低能量电子碰撞的结果。我们的主要目的是在这里提供新的价值观的电子连接到orthobenzyne和苯基分子的速率常数详细讨论的影响，长程偶极相互作用的玻恩微扰近似的框架中的一阶。我们将进一步讨论电子通过这些分子扩散的具体行为，特别是在散射粒子的能量的低能量范围内，由它们的永久偶极矩引导。我们还将提供精确的数值拟合这两个速率，并明确给出其可能用于演化模型的拟合参数。
Free, gas-phase polycyclic aromatic hydrocarbons (PAHs) and related species are currently considered to play an important role in the interstellar/circumstellar medium as they are thought to significantly contribute to both Diffuse and Unidentified infrared interstellar bands. They are also considered fundamental blocks of the interstellar dust and several formation mechanisms were proposed with regard to their interstellar/circumstellar synthesis. In this paper we therefore present and discuss the results obtained from ab initio quantum scattering calculations of the response from neutral polar aromatic single-ring species to low-energies electron collisions. Our main purpose is here to provide new values for the rate constants for electron attachment to orthobenzyne and to phenyl molecules by discussing in detail the effects of the long-range dipole interaction in the framework of the Born perturbative approximation at the first order. We shall further discuss the specific behavior of the electrons’ diffusion by such molecules, especially in the low-energy range of the scattered particles’ energies as guided by their permanent dipole moments. We shall also provide accurate numerical fittings for both rates and give explicitly the fitting parameters for their possible use in evolutionary models.