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Isomers in Interstellar Environments (I): The Case of Z- and E-Cyanomethanimine
- Publication Year :
- 2020
-
Abstract
- In this work, we present the results of our investigation into the chemistry of Z- and E-cyanomethanimine (HNCHCN), both of which are possible precursors to the nucleobase adenine. Ab initio quantum chemical calculations for a number of reactions with atomic hydrogen were carried out. We find that the reaction H + Z/E-HNCHCN leading both to H-addition as well as H$_2$-abstraction proceed via similar short-range barriers with bimolecular rate coefficients on the order of $\sim10^{-17}$ cm$^{3}$ s$^{-1}$. These results were then incorporated into astrochemical models and used in simulations of the giant molecular cloud G+0.693. The calculated abundances obtained from these models were compared with previous observational data and found to be in good agreement, with a predicted [Z/E] ratio of $\sim3$ - somewhat smaller than the previously derived value of $6.1\pm2.4$. We find that the [Z/E] ratio in our simulations is due mostly to ion-molecule destruction rates driven by the different permanent dipoles of the two conformers. Based on these results, we propose a general rule-of-thumb for estimating the abundances of isomers in interstellar environments.<br />Comment: The Astrophysical Journal, accepted: 17 pages, 9 figures, 7 tables
- Subjects :
- Astrophysics - Astrophysics of Galaxies
Physics - Chemical Physics
Subjects
Details
- Database :
- arXiv
- Publication Type :
- Report
- Accession number :
- edsarx.2005.09477
- Document Type :
- Working Paper
- Full Text :
- https://doi.org/10.3847/1538-4357/ab94b5