The Reaction Between Atomic Carbon And Molecular Nitrogen As A Source Of Cyanamide And Carbodiimide On Interstellar Ices

editorAstrobiology15 hours ago3 Views

The Reaction Between Atomic Carbon And Molecular Nitrogen As A Source Of Cyanamide And Carbodiimide On Interstellar Ices

The (H2O)18 cluster used in the present work, optimized at the B97X-D3/def2-TZVP
level. Panels a, b, and c represent the three different initial N2 adsorption sites. — astro-ph.GA

Reactions occurring on the ice-covered surfaces of interstellar dust grains are considered to be among the most important sources of complex species in the interstellar medium. Despite this, molecules such as cyanamide, NH2CN, are largely underpredicted by current astrochemical models suggesting that the network of reactions currently used to describe this species and its tautomer carbodiimide, HNCNH, are incomplete.

Here, we performed a theoretical investigation of the reaction of ground state atomic carbon C(3P) with molecular nitrogen N2 in both the gas-phase and on the surface of amorphous solid water (ASW) clusters to examine its potential importance in the formation of NH22CN and HNCNH.

We show that the reaction of gas-phase C-atoms with N2 molecules already present on the ASW surface results in the barrierless formation of CNN. Following exothermic hydrogenation reactions, the N-N bond of the C-N-N bearing intermediates is broken allowing the formation of molecules with N-C-N backbones through cyclic intermediates over low barriers.

To test the importance of these processes to NH2CN and HNCNH formation, these reactions were included in a three-phase astrochemical model of low-mass protostellar evolution employing a reaction network that was updated to better describe the formation and destruction pathways of related small nitrogen bearing molecules.

These simulations demonstrate that the ice surface reaction between C and N2 represents by far the dominant source of NH2CN and HNCNH in protostellar environments and in dense clouds.

Kevin M. Hickson, Jean-Christophe Loison, Audrey Coutens

Comments: Published in ACS Earth and Space Chemistry
Subjects: Astrophysics of Galaxies (astro-ph.GA)
Cite as: arXiv:2604.15930 [astro-ph.GA] (or arXiv:2604.15930v1 [astro-ph.GA] for this version)
https://doi.org/10.48550/arXiv.2604.15930
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Related DOI:
https://doi.org/10.1021/acsearthspacechem.6c00032
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Submission history
From: Kevin Hickson
[v1] Fri, 17 Apr 2026 10:43:15 UTC (1,384 KB)
https://arxiv.org/abs/2604.15930

Astrobiology, Astrochemistry,

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