Glycolaldehyde formation mediated by interstellar amorphous ice: a computational study

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dc.contributor.authorPaiva, Mateus Augusto Martins
dc.contributor.authorPilling, Sergio
dc.contributor.authorMendoza, Edgar
dc.contributor.authorGalvão, Breno Rodrigues Lamaghere
dc.contributor.authorAbreu, Heitor Avelino de
dc.date.accessioned2025-03-14T18:16:35Z
dc.date.available2025-03-14T18:16:35Z
dc.date.issued22022
dc.description.abstractGlycolaldehyde (HOCH2CHO) is the most straightforward sugar detected in the Interstellar Medium (ISM) and participates in the formation pathways of molecules fundamental to life, red such as ribose and derivatives. Although detected in several regions of the ISM, its formation route is still debated and its abundance cannot be explained only by reactions in the gas phase. This work explores a new gas-phase formation mechanism for glycolaldehyde and compares the energy barrier reduction when the same route happens on the surface of amorphous ices. The first step of the mechanism involves the formation of a carbon–carbon bond between formaldehyde (H2CO) and the formyl radical (HCO), with an energy barrier of 27 kJ mol−1 (gas-phase). The second step consists of barrierless hydrogen addition. Density functional calculations under periodic boundary conditions were applied to study this reaction path on 10 different amorphous ice surfaces through an Eley–Rideal type mechanism. It was found that the energy barrier is reduced on average by 49 per cent, leading in some cases to a 100 per cent reduction. The calculated adsorption energy of glycolaldehyde suggests that it can be promptly desorbed to the gas phase after its formation. This work, thus contributes to explaining the detected relative abundances of glycolaldehyde and opens a new methodological framework for studying the formation routes for Complex Organic Molecules (COMs) in interstellar icy grains.
dc.description.physical10 p.
dc.description.sponsorshipCoordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.description.uriCAPES (001) CNPq (311402/2021-6, 311508-2021-9)
dc.format.mimetypePDF
dc.identifier.affiliationUniversidade do Vale do Paraíba
dc.identifier.affiliationUniversidade Federal de Minas Gerais
dc.identifier.affiliationUniversidad de Huelva
dc.identifier.affiliationCentro Federal de Educação Tecnológica de Minas Gerais
dc.identifier.bibliographicCitationPAIVA, Mateus Augusto Martins et al. Glycolaldehyde formation mediated by interstellar amorphous ice: a computational study. Monthly Notices of the Royal Astronomical Society, v. 519, n. 2, p. 2518-2527, 2022. Disponível em:
dc.identifier.doi10.1093/mnras/stac3679
dc.identifier.urihttps://repositorio.univap.br/handle/123456789/702
dc.language.isoen_US
dc.publisherRoyal Astronomical Society
dc.rights.holderMonthly Notices of the Royal Astronomical Society
dc.subject.keywordAstrochemistry
dc.subject.keywordMolecular processes
dc.subject.keywordISM: molecules
dc.titleGlycolaldehyde formation mediated by interstellar amorphous ice: a computational study
dc.typeArtigos de Periódicos

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