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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...

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Detalles Bibliográficos
Autores principales: Dilena, Gabriele, Pistillo, Simone, Bodo, Enrico
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
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.
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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
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