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About the Formation of NH(2)OH(+) from Gas Phase Reactions under Astrochemical Conditions
We present here an analysis of several possible reactive pathways toward the formation of hydroxylamine under astrochemical conditions. The analysis is based on ab initio quantum chemistry calculations. Twenty-one bimolecular ion–molecule reactions have been studied and their thermodynamics presente...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2023
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10096285/ https://www.ncbi.nlm.nih.gov/pubmed/37049694 http://dx.doi.org/10.3390/molecules28072932 |
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author | Dilena, Gabriele Pistillo, Simone Bodo, Enrico |
author_facet | Dilena, Gabriele Pistillo, Simone Bodo, Enrico |
author_sort | Dilena, Gabriele |
collection | PubMed |
description | We present here an analysis of several possible reactive pathways toward the formation of hydroxylamine under astrochemical conditions. The analysis is based on ab initio quantum chemistry calculations. Twenty-one bimolecular ion–molecule reactions have been studied and their thermodynamics presented. Only one of these reactions is a viable direct route to hydroxylamine. We conclude that the contribution of gas-phase chemistry to hydroxylamine formation is probably negligible when compared to its formation via surface grain chemistry. However, we have found several plausible gas-phase reactions whose outcome is the hydroxylamine cation. |
format | Online Article Text |
id | pubmed-10096285 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-100962852023-04-13 About the Formation of NH(2)OH(+) from Gas Phase Reactions under Astrochemical Conditions Dilena, Gabriele Pistillo, Simone Bodo, Enrico Molecules Article We present here an analysis of several possible reactive pathways toward the formation of hydroxylamine under astrochemical conditions. The analysis is based on ab initio quantum chemistry calculations. Twenty-one bimolecular ion–molecule reactions have been studied and their thermodynamics presented. Only one of these reactions is a viable direct route to hydroxylamine. We conclude that the contribution of gas-phase chemistry to hydroxylamine formation is probably negligible when compared to its formation via surface grain chemistry. However, we have found several plausible gas-phase reactions whose outcome is the hydroxylamine cation. MDPI 2023-03-24 /pmc/articles/PMC10096285/ /pubmed/37049694 http://dx.doi.org/10.3390/molecules28072932 Text en © 2023 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Dilena, Gabriele Pistillo, Simone Bodo, Enrico About the Formation of NH(2)OH(+) from Gas Phase Reactions under Astrochemical Conditions |
title | About the Formation of NH(2)OH(+) from Gas Phase Reactions under Astrochemical Conditions |
title_full | About the Formation of NH(2)OH(+) from Gas Phase Reactions under Astrochemical Conditions |
title_fullStr | About the Formation of NH(2)OH(+) from Gas Phase Reactions under Astrochemical Conditions |
title_full_unstemmed | About the Formation of NH(2)OH(+) from Gas Phase Reactions under Astrochemical Conditions |
title_short | About the Formation of NH(2)OH(+) from Gas Phase Reactions under Astrochemical Conditions |
title_sort | about the formation of nh(2)oh(+) from gas phase reactions under astrochemical conditions |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10096285/ https://www.ncbi.nlm.nih.gov/pubmed/37049694 http://dx.doi.org/10.3390/molecules28072932 |
work_keys_str_mv | AT dilenagabriele abouttheformationofnh2ohfromgasphasereactionsunderastrochemicalconditions AT pistillosimone abouttheformationofnh2ohfromgasphasereactionsunderastrochemicalconditions AT bodoenrico abouttheformationofnh2ohfromgasphasereactionsunderastrochemicalconditions |