ArticleACS earth & space chemistry2025
Cosmic Silicate Surfaces Catalizing Prebiotic Reactions: Atomistic Modeling on the Polymerization of HCN.
Article in ACS earth & space chemistry, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Hydrogen cyanide, HCN, is a fundamental building block in astro- and cosmochemical environments, known for its ability to form prebiotically relevant molecules such as nucleobases. Although its polymerization is inhibited under the cold, dilute conditions of the interstellar medium, the higher temperatures of more evolved rocky bodies, combined with the presence of mineral surfaces, can catalyze the reaction. In this study, we use atomistic simulations grounded on the density functional theory (DFT) to elucidate the complete tetramerization pathway of HCN to diaminomaleonitrile (DAMN) and diaminofumaronitrile (DAFN), catalyzed by the crystalline Mg
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