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Genesis of Polyatomic Molecules in Dark Clouds: CO2 Formation on Cold Amorphous Solid Water
JournalArticle (Originalarbeit in einer wissenschaftlichen Zeitschrift)
 
ID 4638692
Author(s) Upadhyay, Meenu; Pezzella, Marco; Meuwly, Markus
Author(s) at UniBasel Meuwly, Markus
Year 2021
Title Genesis of Polyatomic Molecules in Dark Clouds: CO2 Formation on Cold Amorphous Solid Water
Journal The journal of physical chemistry letters
Volume 12
Number 29
Pages / Article-Number 6781-6787
Abstract 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.
Publisher American Chemical Society
ISSN/ISBN 1948-7185
URL https://arxiv.org/pdf/2104.11499.pdf
edoc-URL https://edoc.unibas.ch/87002/
Full Text on edoc No
Digital Object Identifier DOI 10.1021/acs.jpclett.1c01810
PubMed ID http://www.ncbi.nlm.nih.gov/pubmed/34270244
ISI-Number 000680449800005
Document type (ISI) Journal Article
 
   

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