About the Formation of NH2OH+ 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 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.

Automated summary

We have analyzed multiple potential pathways for the formation of hydroxylamine under astrochemical conditions using ab initio quantum chemistry calculations. Among the 21 bimolecular ion-molecule reactions studied, only one provides a feasible direct route to hydroxylamine. Our findings suggest that gas-phase chemistry likely has a negligible contribution to the formation of hydroxylamine compared to surface grain chemistry. Nevertheless, we have identified several plausible gas-phase reactions leading to the formation of hydroxylamine cations.