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.

About the Formation of NH2OH+ from Gas Phase Reactions under Astrochemical Conditions / Dilena, Gabriele; Pistillo, Simone; Bodo, Enrico. - In: MOLECULES. - ISSN 1420-3049. - 28:7(2023), pp. 1-13. [10.3390/molecules28072932]

About the Formation of NH2OH+ from Gas Phase Reactions under Astrochemical Conditions

Dilena, Gabriele;Pistillo, Simone;Bodo, Enrico
2023

Abstract

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.
2023
hydroxylamine; astrochemistry
01 Pubblicazione su rivista::01a Articolo in rivista
About the Formation of NH2OH+ from Gas Phase Reactions under Astrochemical Conditions / Dilena, Gabriele; Pistillo, Simone; Bodo, Enrico. - In: MOLECULES. - ISSN 1420-3049. - 28:7(2023), pp. 1-13. [10.3390/molecules28072932]
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11573/1675917
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