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Cosmic Silicate Surfaces Catalizing Prebiotic Reactions: Atomistic Modeling on the Polymerization of HCN
Niccolò Bancone1,2, Stefano Pantaleone2, Gerard Pareras1
1Departament de Química, Universitat Autònoma de Barcelona, 08193 Bellaterra, Catalonia, Spain.
ACS Earth & Space Chemistry
|November 26, 2025
Summary
Hydrogen cyanide (HCN) polymerization on Mg2SiO4 forsterite surfaces is feasible above 300 K, forming prebiotic molecules. Mineral catalysis significantly lowers reaction barriers, supporting the emergence of life on early rocky planets.
Area of Science:
- Astrochemistry
- Cosmochemistry
- Geochemistry
Background:
- Hydrogen cyanide (HCN) is a key prebiotic molecule in astrophysical environments.
- HCN polymerization is typically inhibited in interstellar conditions but can occur on mineral surfaces at higher temperatures.
Purpose of the Study:
- To elucidate the HCN tetramerization pathway to diaminomaleonitrile (DAMN) and diaminofumaronitrile (DAFN).
- To investigate the catalytic role of the Mg2SiO4 forsterite (120) surface in HCN oligomerization using DFT simulations.
Main Methods:
- Atomistic simulations based on Density Functional Theory (DFT).
- Analysis of reaction pathways and activation barriers for HCN tetramerization.
- Kinetic analysis to determine reaction feasibility at different temperatures.
Main Results:
- The forsterite surface significantly lowers activation barriers for HCN oligomerization by 120-220 kJ mol-1 compared to the gas phase.
- Reactions are kinetically feasible above 300 K, relevant for warm rocky bodies like asteroids and meteorites.
- Water presence accelerates key steps by facilitating proton transfer.
Conclusions:
- Mg-rich silicate minerals likely catalyzed the formation of complex organic molecules in the early Solar System.
- This mineral-catalyzed pathway provides essential precursors for biomolecules, supporting the origin of life on early Earth and other planets.
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