open access

https://hdl.handle.net/2115/95347

Carbon Atom Condensation on NH3–H2O Ices. An Alternative Pathway to Interstellar Methanimine and Methylamine

英語

2024-05-06

American Chemical Society(ACS)

The Journal of Physical Chemistry A

128(19)

3874-3889

The recent discovery of the nature and behavior of carbon atoms interacting with interstellar ices has prompted a number of investigations on the chemistry initiated by carbon accretion on icy interstellar dust. In this work, we expand the range of processes promoted by carbon accretion to the chemistry initiated by the interaction of this atom with ammonia (NH3) using quantum chemical calculations. We found that carbon addition to the ammonia molecule forms a rather stable radical, CNH3, that is easily hydrogenated. The complete hydrogenation network is later studied. Our calculations reveal that while conversion to simpler molecules like HCN and HNC is indeed a possible outcome promoted by H-abstraction reactions, methylamine is also easily formed (CH3NH2). In fact, the stability of methylamine against hydrogen abstraction makes this molecule the preferred product of the reaction network. Our results serve as a stepping stone toward the accurate modeling of C-addition reactions in realistic astrochemical kinetic models.

学術雑誌論文

Accepted Manuscript

This document is the Accepted Manuscript version of a Published Work that appeared in final form in The Journal of Physical Chemistry A, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://pubs.acs.org/articlesonrequest/AOR-SUISE3INIAXI3VRIH6ET.

1089-5639