论文标题
大型PAH阳离子的VUV电离的星体化学相关性
Astrochemical relevance of VUV ionization of large PAH cations
论文作者
论文摘要
作为星际灰尘的一部分,通过与热年轻恒星发射的真空紫外线(VUV)光子的相互作用来处理多环芳烃(PAHS)。这种相互作用导致众所周知的芳香红外带和电子的发射,这可以显着有助于加热星际气体。我们的目的是研究分子大小对阳离子PAHS.s.methods的光离子的影响。从Synchrotron Soleil处的Desirs Beamine中,将30至48个碳原子的大小的PAH阳离子提交了9至20 eV的VUV光子。在所有能量的所有能量上,所有产生的光药物在内的光产物(包括diCations和碎片阳离子)均分析并记录为光子能量的函数。在所有能量的分离上,photoioniation占主导地位,这与对较小PAHS的早期研究不同。对于最大的PAH,在20 eV时,光离子分支比率达到0.98。观察到光电离阈值在9.1和10.2 eV之间,与尺寸的电离电位的演变一致。间接获得电离横截面,并从其比率中提取的光电离屈服与理论光吸附横截面,该截面是使用时间依赖性密度功能理论计算得出的。得出了分析功能以计算给定分子大小的收益率。在H I区域可以有效地将Large PAH阳离子有效地电离,并通过光电效应为加热气体提供贡献。同样,在H II区域的边界上,PAH可以暴露于高于13.6 eV的能量的光子。我们的工作提供了用于量化这些点的天文模型中使用的食谱。
As a part of interstellar dust, polycyclic aromatic hydrocarbons (PAHs) are processed by the interaction with vacuum ultraviolet (VUV) photons that are emitted by hot young stars. This interaction leads to the emission of the well-known aromatic infrared bands but also of electrons, which can significantly contribute to the heating of the interstellar gas.Our aim is to investigate the impact of molecular size on the photoionization properties of cationic PAHs.Methods. Trapped PAH cations of sizes between 30 and 48 carbon atoms were submitted to VUV photons in the range of 9 to 20 eV from the DESIRS beamline at the synchrotron SOLEIL. All resulting photoproducts including dications and fragment cations were mass-analyzed and recorded as a function of photon energy.Photoionization is found to be predominant over dissociation at all energies, which differs from an earlier study on smaller PAHs. The photoionization branching ratio reaches 0.98 at 20 eV for the largest studied PAH. The photoionization threshold is observed to be between 9.1 and 10.2 eV, in agreement with the evolution of the ionization potential with size. Ionization cross sections were indirectly obtained and photoionization yields extracted from their ratio with theoretical photoabsorption cross sections, which were calculated using time-dependent density functional theory. An analytical function was derived to calculate this yield for a given molecular size.Large PAH cations could be efficiently ionized in H i regions and provide a contribution to the heating of the gas by photoelectric effect. Also, at the border of or in H ii regions, PAHs could be exposed to photons of energy higher than 13.6 eV. Our work provides recipes to be used in astronomical models to quantify these points.