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质子化稀有气体系统中的原子-双原子反应散射碰撞

Atom-Diatom Reactive Scattering Collisions in Protonated Rare Gas Systems.

作者信息

Koner Debasish, Barrios Lizandra, González-Lezana Tomás, Panda Aditya N

机构信息

Department of Chemistry, Indian Institute of Science Education and Research (IISER) Tirupati, Karakambadi Road, Tirupati 517507, Andhra Pradesh, India.

Department of Chemistry, CMS-Centre for Molecular Simulation, IQST-Institute for Quantum Science and Technology and Quantum Alberta, University of Calgary, 2500 University Drive N.W., Calgary, AB T2N 1N4, Canada.

出版信息

Molecules. 2021 Jul 11;26(14):4206. doi: 10.3390/molecules26144206.

DOI:10.3390/molecules26144206
PMID:34299481
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8304066/
Abstract

The study of the dynamics of atom-diatom reactions involving two rare gas (Rg) atoms and protons is of crucial importance given the astrophysical relevance of these processes. In a series of previous studies, we have been investigating a number of such Rg(1)+ Rg(2)H+→ Rg(2)+ Rg(1)H+ reactions by means of different numerical approaches. These investigations comprised the construction of accurate potential energy surfaces by means of ab initio calculations. In this work, we review the state-of-art of the study of these protonated Rg systems making special emphasis on the most relevant features regarding the dynamical mechanisms which govern these reactive collisions. The aim of this work therefore is to provide an as complete as possible description of the existing information regarding these processes.

摘要

鉴于这些过程在天体物理学中的相关性，研究涉及两个稀有气体（Rg）原子和质子的原子 - 双原子反应动力学至关重要。在之前的一系列研究中，我们一直在通过不同的数值方法研究许多此类Rg(1)+ Rg(2)H+→ Rg(2)+ Rg(1)H+反应。这些研究包括通过从头算计算构建精确的势能面。在这项工作中，我们回顾了这些质子化Rg系统研究的最新进展，特别强调了关于控制这些反应性碰撞的动力学机制的最相关特征。因此，这项工作的目的是尽可能完整地描述关于这些过程的现有信息。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a532/8304066/ba7217abbcc1/molecules-26-04206-g018.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a532/8304066/ba7217abbcc1/molecules-26-04206-g018.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a532/8304066/088543600ab3/molecules-26-04206-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a532/8304066/56a851d31c86/molecules-26-04206-g002.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a532/8304066/d3e2adb5223a/molecules-26-04206-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a532/8304066/c23a957ae488/molecules-26-04206-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a532/8304066/a3be29b2b9bc/molecules-26-04206-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a532/8304066/65cbe609f6fc/molecules-26-04206-g011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a532/8304066/0a194e0c4699/molecules-26-04206-g012.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a532/8304066/5d7cf49b60d9/molecules-26-04206-g013.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a532/8304066/0b3191fba127/molecules-26-04206-g014.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a532/8304066/19a637733711/molecules-26-04206-g015.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a532/8304066/bdb71f9a8b6b/molecules-26-04206-g016.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a532/8304066/ba7217abbcc1/molecules-26-04206-g018.jpg

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2
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3
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J Phys Chem A. 2020 Sep 24;124(38):7726-7734. doi: 10.1021/acs.jpca.0c06016. Epub 2020 Sep 16.
4
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Front Chem. 2020 Jun 19;8:462. doi: 10.3389/fchem.2020.00462. eCollection 2020.
5
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6
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7
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8
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9
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Chemistry. 2016 Aug 1;22(32):11317-28. doi: 10.1002/chem.201601392. Epub 2016 Jul 6.
10
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