Acetaldehyde binding energies: a coupled experimental and theoretical study

Autor: S Ferrero, F Grieco, A-S Ibrahim Mohamed, F Dulieu, A Rimola, C Ceccarelli, C Nervi, M Minissale, P Ugliengo
Přispěvatelé: Laboratoire d'Etude du Rayonnement et de la Matière en Astrophysique (LERMA), École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université de Cergy Pontoise (UCP), Université Paris-Seine-Université Paris-Seine-Centre National de la Recherche Scientifique (CNRS), Institut de Planétologie et d'Astrophysique de Grenoble (IPAG), Centre National d'Études Spatiales [Toulouse] (CNES)-Observatoire des Sciences de l'Univers de Grenoble (OSUG ), Institut national des sciences de l'Univers (INSU - CNRS)-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Université Grenoble Alpes (UGA)-Météo-France -Institut national des sciences de l'Univers (INSU - CNRS)-Université Savoie Mont Blanc (USMB [Université de Savoie] [Université de Chambéry])-Centre National de la Recherche Scientifique (CNRS)-Institut National de Recherche pour l’Agriculture, l’Alimentation et l’Environnement (INRAE)-Université Grenoble Alpes (UGA)-Météo-France, Physique des interactions ioniques et moléculaires (PIIM), Aix Marseille Université (AMU)-Centre National de la Recherche Scientifique (CNRS)
Jazyk: angličtina
Rok vydání: 2022
Předmět:
Zdroj: Monthly Notices of the Royal Astronomical Society
Monthly Notices of the Royal Astronomical Society, 2022, 516, pp.2586-2596. ⟨10.1093/mnras/stac2358⟩
ISSN: 0035-8711
1365-2966
DOI: 10.1093/mnras/stac2358⟩
Popis: Acetaldehyde is one of the most common and abundant gaseous interstellar complex organic molecules, found in cold and hot regions of the molecular interstellar medium. Its presence in the gas-phase depends on the chemical formation and destruction routes, and its binding energy (BE) governs whether acetaldehyde remains frozen onto the interstellar dust grains or not. In this work, we report a combined study of the acetaldehyde BE obtained via laboratory TPD (Temperature Programmed Desorption) experiments and theoretical quantum chemical computations. BEs have been measured and computed as a pure acetaldehyde ice and as mixed with both polycrystalline and amorphous water ice. Both calculations and experiments found a BE distribution on amorphous solid water that covers the 4000--6000 K range, when a pre-exponential factor of $1.1\times 10^{18}s^{-1}$ is used for the interpretation of the experiments. We discuss in detail the importance of using a consistent couple of BE and pre-exponential factor values when comparing experiments and computations, as well as when introducing them in astrochemical models. Based on the comparison of the acetaldehyde BEs measured and computed in the present work with those of other species, we predict that acetaldehyde is less volatile than formaldehyde, but much more than water, methanol, ethanol, and formamide. We discuss the astrochemical implications of our findings and how recent astronomical high spatial resolution observations show a chemical differentiation involving acetaldehyde, which can easily explained as due to the different BEs of the observed molecules.
Comment: 12 pages, 6 figures
Databáze: OpenAIRE