Chemical models of adenine precursors cyanamide and carbodiimide in the interstellar medium
Open Access
- 2 March 2023
- journal article
- research article
- Published by Oxford University Press (OUP) in Monthly Notices of the Royal Astronomical Society
- Vol. 521 (1) , 1578-1589
Abstract
Cyanamide (NH2CN) and its isomer, carbodiimide (HNCNH), may form adenine in the interstellar medium (ISM) via a series of reactions. Therefore, they are considered key prebiotic molecules in the study of the origin of life. We used the three-phase NAUTILUS chemical code, which includes the gas, the dust surface, and the icy mantle, to investigate the formation and destruction of cyanamide and carbodiimide. We added over 200 new chemical reactions of the two isomers and related species and established a relatively complete network. We applied cold core, hot corino/core, and shock models to simulate the different physical environments, and found that the two isomers are mainly produced by the free radical reactions on grain surfaces. Our simulated results suggest that cyanamide and carbodiimide molecules come from surface chemistry at early evolutionary stages. Then they are released back to the gas phase, either by thermal process (in hot cores, hot corinos) or by shock-induced desorption (in shock regions). We speculate that it is an inefficient route to form a tautomer of adenine by starting from molecules cyanoacetylene (C3NH), cyanamide, and carbodiimide in ISM.Keywords
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Funding Information
- Natural Science Foundation of Xinjiang Uygur Autonomous Region (2022D01A156)
- National Key Research and Development Program of China (2022YFA1603103)
- National Natural Science Foundation of China (12203091, 11973075, 12173075)
This publication has 75 references indexed in Scilit:
- An experimental confirmation of the products of the reaction between CN radicals and NH3Physical Chemistry Chemical Physics, 2009
- Efficient Diffuse Basis Sets: cc-pVxZ+ and maug-cc-pVxZJournal of Chemical Theory and Computation, 2009
- Semiempirical hybrid density functional with perturbative second-order correlationThe Journal of Chemical Physics, 2006
- Carbodiimide Production from Cyanamide by UV Irradiation and Thermal Reaction on Amorphous Water IceThe Journal of Physical Chemistry A, 2005
- Experimental Study of Water−Ice Catalyzed Thermal Isomerization of Cyanamide into Carbodiimide: Implication for Prebiotic ChemistryJournal of the American Chemical Society, 2004
- A spectral survey of the Orion Nebula from 455–507 GHzAstronomy & Astrophysics, 2003
- Theoretical Study of Hydration of Cyanamide and CarbodiimideThe Journal of Physical Chemistry A, 2003
- The structure of carbodiimide, HNCNHMolecular Physics, 1999
- A full coupled-cluster singles and doubles model: The inclusion of disconnected triplesThe Journal of Chemical Physics, 1982
- A Mechanism for the Hydrolysis of Cyanamide in Acid SolutionJournal of the American Chemical Society, 1947