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首页> 外文期刊>Astronomy and astrophysics >Is the reaction between formic acid and protonated aminomethanol a possible source of glycine precursors in the interstellar medium?
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Is the reaction between formic acid and protonated aminomethanol a possible source of glycine precursors in the interstellar medium?

机译：甲酸和质子化的氨基甲醇之间的反应是否是星际介质中甘氨酸前体的可能来源？

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Context. One of the most interesting questions in interstellar chemistry concerns whether we can detect the basic building blocks of proteins in astronomical sources. In ascertaining whether amino acids could be possible interstellar molecules, a crucial point is how they could be synthesized in the interstellar medium. Aims. We do a theoretical study of the ion-molecule reaction involving protonated aminomethanol and formic acid to establish its viability in space. This ion-molecule reaction has been proposed by other authors as a possible way to produce glycine in the interstellar medium. Methods. The relevant stationary points on the potential energy surface of the reaction between protonated aminomethanol and formic acid have been theoretically studied by using ab initio methods. The second-order Moller-Plesset level was employed, in conjunction with the correlation-consistent polarized valence triple-zeta (cc-pVTZ) basis set. In addition, the electronic energies were refined by means of single-point calculations at the CCSD(T) level (coupled cluster single and double excitation model augmented with a non-iterative treatment of triple excitations) on the MP2/cc-pVTZ geometries with the aug-cc-pVTZ basis set. Results. Formation of protonated glycine is an exothermic process; however, the process presents a net activation barrier that makes this reaction unfeasible under interstellar conditions. Conclusions. The reaction of protonated aminomethanol with formic acid does not seem to be a plausible source of interstellar glycine. This particular case is a clear example that a detailed study of the potential energy surface is needed to establish the relevance of a process in the interstellar medium.
机译：上下文。星际化学中最有趣的问题之一是我们是否能够检测到天文来源的蛋白质的基本结构单元。在确定氨基酸是否可能是星际分子时，关键点是如何在星际介质中合成氨基酸。目的我们对涉及质子化的氨基甲醇和甲酸的离子分子反应进行了理论研究，以建立其在空间中的生存能力。其他作者已经提出这种离子分子反应作为在星际介质中产生甘氨酸的一种可能方法。方法。从头开始方法，从理论上研究了质子化氨基甲醇与甲酸反应的势能面上的相关固定点。使用了二阶Moller-Plesset水平，以及相关一致的极化价三元组（cc-pVTZ）基集。此外，通过在MP2 / cc-pVTZ几何结构上以CCSD（T）级别的单点计算（耦合簇单和双激发模型，加上三重激发的非迭代处理）来完善电子能量。 aug-cc-pVTZ基础集。结果。质子化甘氨酸的形成是放热过程。然而，该过程提出了一个净激活障碍，使该反应在星际条件下不可行。结论。质子化的氨基甲醇与甲酸的反应似乎不是星际甘氨酸的合理来源。这个特殊的例子是一个清楚的例子，需要对势能面进行详细研究以建立星际介质中过程的相关性。

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