Hilda Sandström, Fernando Izquierdo-Ruiz, Marco Cappelletti, Rana Dogan, Siddhant Sharma, Clara Bailey and Martin Rahm*,
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引用次数: 0
Abstract
Hydrogen cyanide (HCN)-derived molecules and polymers are featured in several hypotheses on the origin of life. Over half a century of investigations into HCN self-reactions have led to many suggestions regarding the structural nature of the products and an even greater number of proposed polymerization pathways. A comprehensive overview of possible reactions and structures is missing. In this work, we use quantum chemical calculations to map the relative Gibbs free energy of most HCN-derived molecules and polymers that have been discussed in the literature. Our computed free energies indicate that several previously considered polymerization pathways are not spontaneous and should be discarded from future consideration. Among the most thermodynamically favored products are polyaminoimidazole and adenine.
期刊介绍：
The scope of ACS Earth and Space Chemistry includes the application of analytical, experimental and theoretical chemistry to investigate research questions relevant to the Earth and Space. The journal encompasses the highly interdisciplinary nature of research in this area, while emphasizing chemistry and chemical research tools as the unifying theme. The journal publishes broadly in the domains of high- and low-temperature geochemistry, atmospheric chemistry, marine chemistry, planetary chemistry, astrochemistry, and analytical geochemistry. ACS Earth and Space Chemistry publishes Articles, Letters, Reviews, and Features to provide flexible formats to readily communicate all aspects of research in these fields.
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