About the Formation of NH<sub>2</sub>OH<sup>+</sup> 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...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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MDPI AG
2023-03-01
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| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/28/7/2932 |
| _version_ | 1797607460054237184 |
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| author | Gabriele Dilena Simone Pistillo Enrico Bodo |
| author_facet | Gabriele Dilena Simone Pistillo Enrico Bodo |
| author_sort | Gabriele Dilena |
| collection | DOAJ |
| 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. |
| first_indexed | 2024-03-11T05:31:18Z |
| format | Article |
| id | doaj.art-f73a84d54b3c4d2dbb3cbdc38d9cfa44 |
| institution | Directory Open Access Journal |
| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-11T05:31:18Z |
| publishDate | 2023-03-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-f73a84d54b3c4d2dbb3cbdc38d9cfa442023-11-17T17:11:04ZengMDPI AGMolecules1420-30492023-03-01287293210.3390/molecules28072932About the Formation of NH<sub>2</sub>OH<sup>+</sup> from Gas Phase Reactions under Astrochemical ConditionsGabriele Dilena0Simone Pistillo1Enrico Bodo2Chemistry Department, University of Rome “La Sapienza”, 00185 Rome, ItalyChemistry Department, University of Rome “La Sapienza”, 00185 Rome, ItalyChemistry Department, University of Rome “La Sapienza”, 00185 Rome, ItalyWe 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.https://www.mdpi.com/1420-3049/28/7/2932interstellar mediumgas-phase chemistryhydroxylamine |
| spellingShingle | Gabriele Dilena Simone Pistillo Enrico Bodo About the Formation of NH<sub>2</sub>OH<sup>+</sup> from Gas Phase Reactions under Astrochemical Conditions Molecules interstellar medium gas-phase chemistry hydroxylamine |
| title | About the Formation of NH<sub>2</sub>OH<sup>+</sup> from Gas Phase Reactions under Astrochemical Conditions |
| title_full | About the Formation of NH<sub>2</sub>OH<sup>+</sup> from Gas Phase Reactions under Astrochemical Conditions |
| title_fullStr | About the Formation of NH<sub>2</sub>OH<sup>+</sup> from Gas Phase Reactions under Astrochemical Conditions |
| title_full_unstemmed | About the Formation of NH<sub>2</sub>OH<sup>+</sup> from Gas Phase Reactions under Astrochemical Conditions |
| title_short | About the Formation of NH<sub>2</sub>OH<sup>+</sup> from Gas Phase Reactions under Astrochemical Conditions |
| title_sort | about the formation of nh sub 2 sub oh sup sup from gas phase reactions under astrochemical conditions |
| topic | interstellar medium gas-phase chemistry hydroxylamine |
| url | https://www.mdpi.com/1420-3049/28/7/2932 |
| work_keys_str_mv | AT gabrieledilena abouttheformationofnhsub2subohsupsupfromgasphasereactionsunderastrochemicalconditions AT simonepistillo abouttheformationofnhsub2subohsupsupfromgasphasereactionsunderastrochemicalconditions AT enricobodo abouttheformationofnhsub2subohsupsupfromgasphasereactionsunderastrochemicalconditions |