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

被引:1
|
作者
Dilena, Gabriele [1 ]
Pistillo, Simone [1 ]
Bodo, Enrico [1 ]
机构
[1] Univ Roma La Sapienza, Chem Dept, I-00185 Rome, Italy
来源
MOLECULES | 2023年 / 28卷 / 07期
关键词
interstellar medium; gas-phase chemistry; hydroxylamine; COUPLED-CLUSTER THEORY; PHOTOELECTRON-SPECTROSCOPY; HYDROXYLAMINE; PYRIMIDINE; STATE;
D O I
10.3390/molecules28072932
中图分类号
Q5 [生物化学]; Q7 [分子生物学];
学科分类号
071010 ; 081704 ;
摘要
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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页数:13
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