Genesis of Polyatomic Molecules in Dark Clouds: CO2 Formation on Cold Amorphous Solid Water

Upadhyay, Meenu and Pezzella, Marco and Meuwly, Markus. (2021) Genesis of Polyatomic Molecules in Dark Clouds: CO2 Formation on Cold Amorphous Solid Water. The journal of physical chemistry letters, 12 (29). pp. 6781-6787.

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Official URL: https://edoc.unibas.ch/87002/

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Understanding the formation of molecules under conditions relevant to interstellar chemistry is fundamental to characterize the chemical evolution of the universe. Using reactive molecular dynamics simulations with model-based or high-quality potential energy surfaces provides a means to specifically and quantitatively probe individual reaction channels at a molecular level. The formation of CO2 from collision of CO((1)Sigma) and O(D-1) is characterized on amorphous solid water (ASW) under conditions typical in cold molecular clouds. Recombination takes place on the subnanosecond time scale and internal energy redistribution leads to stabilization of the product with CO2 remaining adsorbed on the ASW on extended time scales. Using a high-level, reproducing kernel-based potential energy surface for CO2, formation into and stabilization of CO2 and COO are observed.
Faculties and Departments:05 Faculty of Science > Departement Chemie > Chemie > Physikalische Chemie (Meuwly)
UniBasel Contributors:Meuwly, Markus
Item Type:Article, refereed
Article Subtype:Research Article
Publisher:American Chemical Society
Note:Publication type according to Uni Basel Research Database: Journal article
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Last Modified:24 Jan 2022 11:18
Deposited On:24 Jan 2022 11:17

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