Semiempirical breakdown curves of C2N(+) and C3N(+) molecules; application to products branching ratios predictions of physical and chemical processes involving these adducts

Q2 Physics and Astronomy Molecular Astrophysics Pub Date : 2018-09-01 DOI:10.1016/j.molap.2018.06.003

Tijani IdBarkach , Thejus Mahajan , Marin Chabot , Karine Béroff , Néstor F. Aguirre , Sergio Diaz-Tendero , Thibaut Launoy , Arnaud Le Padellec , Luc Perrot , Maëlle A. Bonnin , Kim Cuong Le , Florian Geslin , Nicolas de Séréville , Fairouz Hammache , Aurélie Jallat , Anne Meyer , Emeline Charon , Thomas Pino , Thibault Hamelin , Valentine Wakelam

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引用次数: 4

Abstract

We constructed semiempirical breakdown curves (BDC) for C₂N, C₃N, C₂N⁺ and C₃N⁺ molecules. These BDC, which are energy dependent dissociation branching ratios (BR) curves, were used to predict products branching ratios for various processes leading to the formation of C₂N⁽⁺⁾ and C₃N⁽⁺⁾ excited adducts. These processes, of astrochemical interest, are neutral-neutral and ion-molecule reactions, dissociative recombination and charge transfer reactions with He⁺. Model predictions of BR are compared to the literature data and to reported values in the kinetic database for astrochemistry KIDA. With the new BR values, the C_nN abundances in cold cores were simulated.

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C2N(+)和C3N(+)分子的半经验击穿曲线应用于产品分支比，预测涉及这些加合物的物理和化学过程

构建了C2N、C3N、C2N+和C3N+分子的半经验击穿曲线(BDC)。这些BDC是能量依赖的解离分支比(BR)曲线，用于预测导致C2N(+)和C3N(+)激发加合物形成的各种过程的产物分支比。这些天体化学过程是中性-中性反应和离子-分子反应、解离重组和He+的电荷转移反应。将模型预测的BR与文献数据和天体化学KIDA动力学数据库中报告的值进行了比较。利用新的BR值，模拟了冷岩心中CnN的丰度。

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Molecular Astrophysics ASTRONOMY & ASTROPHYSICS-

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期刊介绍： Molecular Astrophysics is a peer-reviewed journal containing full research articles, selected review articles, and thematic issues. Molecular Astrophysics is a new journal where researchers working in planetary and exoplanetary science, astrochemistry, astrobiology, spectroscopy, physical chemistry and chemical physics can meet and exchange their ideas. Understanding the origin and evolution of interstellar and circumstellar molecules is key to understanding the Universe around us and our place in it and has become a fundamental goal of modern astrophysics. Molecular Astrophysics aims to provide a platform for scientists studying the chemical processes that form and dissociate molecules, and control chemical abundances in the universe, particularly in Solar System objects including planets, moons, and comets, in the atmospheres of exoplanets, as well as in regions of star and planet formation in the interstellar medium of galaxies. Observational studies of the molecular universe are driven by a range of new space missions and large-scale scale observatories opening up. With the Spitzer Space Telescope, the Herschel Space Observatory, the Atacama Large Millimeter/submillimeter Array (ALMA), NASA''s Kepler mission, the Rosetta mission, and more major future facilities such as NASA''s James Webb Space Telescope and various missions to Mars, the journal taps into the expected new insights and the need to bring the various communities together on one platform. The journal aims to cover observational, laboratory as well as computational results in the galactic, extragalactic and intergalactic areas of our universe.

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