论文标题
CN自由基与甲胺在星际介质中的反应：最先进的量子化学研究的新提示
A twist on the reaction of the CN radical with methylamine in the interstellar medium: new hints from a state-of-the-art quantum-chemical study
论文作者
论文摘要
尽管当前大多数模型都假定星际复合物有机分子（ICOM）是在尘土表面上形成的，但有一些证据表明中性气相反应起着重要作用。在本文中，我们调查了甲胺（CH $ _3 $ nh $ _2 $）和CYANO（CN）自由基之间的气相发生的反应，仅报告了片段和/或不准确的结果。该案例研究使我们能够指出在最新情况下采用量子化学计算的关键重要性。由于Ch $ _3 $ nh $ _2 $ + CN的两种主要产品，即Ch $ _3 $ nh和Ch $ _2 $ _2 $ nh $ _2 $ _2 $激进分子，因此尚未在光谱上表征，因此已经为填补这一空白而付出了一些努力。
Despite the fact that the majority of current models assume that interstellar complex organic molecules (iCOMs) are formed on dust-grain surfaces, there is some evidence that neutral gas-phase reactions play an important role. In this paper, we investigate the reaction occurring in the gas phase between methylamine (CH$_3$NH$_2$) and the cyano (CN) radical, for which only fragmentary and/or inaccurate results have been reported to date. This case study allows us to point out the pivotal importance of employing quantum-chemical calculations at the state of the art. Since the two major products of the CH$_3$NH$_2$ + CN reaction, namely the CH$_3$NH and CH$_2$NH$_2$ radicals, have not been spectroscopically characterized yet, some effort has been made for filling this gap.
