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arXiv 2502.03046astro-ph.GAastro-ph.SR
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HC₅N气相生成网络的综合研究:理论、实验、观测与模型

A comprehensive study of the gas-phase formation network of HC$_5$N: theory, experiments, observations and models

Lisa Giani, Eleonora Bianchi, Martin Fournier, Sidaty Cheikh Sid Ely, Cecilia Ceccarelli, Marzio Rosi, Jean-Claude Guillemin, Ian R. Sims, Nadia Balucani

AI总结:

本文通过量子化学计算、CRESU低温实验、L1544观测及GRETOBAPE建模综合研究了HC₅N的气相生成网络,更新了九个关键反应中的六个,证实低温环境中HC₅N主要由中性-中性反应形成,而温暖激波中离子-中性反应可能起重要作用。

摘要:

氰基多炔是恒星形成区中最大且最常被观测到的星际复杂有机分子之一。它们被认为主要在气相中形成,但其形成路径尚不十分清楚。我们基于新的理论计算、动力学实验、天文观测和天体化学建模,对氰基丁二炔(HC₅N)的气相生成网络进行了综合研究。我们对六个中性-中性反应进行了新的量子力学计算,以获得可靠的速率系数和产物分支比。我们还给出了其中三个反应(C₃N + C₂H₂、C₂H + HC₃N、CN + C₄H₂)在低至24 K温度下获得的新的CRESU速率系数数据。实际上,目前天体化学模型中使用的九个反应中有六个已在我们修订的网络中得到更新。我们还报告了在L1544前恒星核中HC₅N的¹³C同位素体的尝试性探测结果。我们推导出HC₅N同位素体的¹²C/¹³C下限为> 75,这未能为HC₅N化学带来新的约束。最后,我们通过运行GRETOBAPE天体化学模型验证了修订后反应的影响。我们发现,在低温(约10 K)天体中,HC₅N的预测丰度与观测丰度之间具有良好的一致性,表明HC₅N在这些环境中主要由中性-中性反应形成。而在温暖的分子激波中,预测丰度比观测丰度低一个数量级。在这种具有较高气体电离分数的环境中,我们推测离子-中性反应的贡献可能十分显著。

英文摘要:

Cyanopolyynes are among the largest and most commonly observed interstellar Complex Organic Molecules in star-forming regions. They are believed to form primarily in the gas-phase, but their formation routes are not well understood. We present a comprehensive study of the gas-phase formation network of cyanobutadiyne, HC$_5$N, based on new theoretical calculations, kinetics experiments, astronomical observations, and astrochemical modeling. We performed new quantum mechanics calculations for six neutral-neutral reactions in order to derive reliable rate coefficients and product branching fractions. We also present new CRESU data on the rate coefficients of three of these reactions (C$_3$N + C$_2$H$_2$, C$_2$H + HC$_3$N, CN + C$_4$H$_2$) obtained at temperatures as low as 24 K. In practice, six out of nine reactions currently used in astrochemical models have been updated in our reviewed network. We also report the tentative detection of the $^{13}$C isotopologues of HC$_5$N in the L1544 prestellar core. We derived a lower limit of $^{12}$C/$^{13}$C > 75 for the HC$_5$N isotopologues, which does not allow to bring new constraints to the HC$_5$N chemistry. Finally, we verified the impact of the revised reactions by running the GRETOBAPE astrochemical model. We found good agreement between the HC$_5$N predicted and observed abundances in cold ($\sim$10 K) objects, demonstrating that HC$_5$N is mainly formed by neutral-neutral reactions in these environments. In warm molecular shocks, instead, the predicted abundances are a factor of ten lower with respect to observed ones. In this environment possessing an higher gas ionization fraction, we speculate that the contribution of ion-neutral reactions could be significant.

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