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|a 10.1002/jcc.27447
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|a eng
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|a Chaquin, Patrick
|e verfasserin
|4 aut
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|a How the addition of atomic hydrogen to a multiple bond can be catalyzed by water molecules
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|c 2024
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|a Text
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|a ƒaComputermedien
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|a ƒa Online-Ressource
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|a Date Revised 14.08.2024
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a © 2024 Wiley Periodicals LLC.
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|a Observational data show complex organic molecules in the interstellar medium (ISM). Hydrogenation of small unsaturated carbon double bond could be one way for molecular complexification. It is important to understand how such reactivity occurs in the very cold and low-pressure ISM. Yet, there is water ice in the ISM, either as grain or as mantle around grains. Therefore, the addition of atomic hydrogen on double-bonded carbon in a series of seven molecules have been studied and it was found that water catalyzes this reaction. The origin of the catalysis is a weak charge transfer between the π MO of the unsaturated molecule and H atom, allowing a stabilizing interaction with H2O. This mechanism is rationalized using the non-covalent interaction and the quantum theory of atoms in molecules approaches
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|a Journal Article
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|a complex organic molecules
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|a hydrogenation
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|a Fuster, Franck
|e verfasserin
|4 aut
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|a Markovits, Alexis
|e verfasserin
|4 aut
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|i Enthalten in
|t Journal of computational chemistry
|d 1984
|g 45(2024), 27 vom: 15. Okt., Seite 2325-2332
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|u http://dx.doi.org/10.1002/jcc.27447
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