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Nitrile versus isonitrile adsorption at interstellar grain surfaces: II. Carbonaceous aromatic surfaces

Authors :
Bertin, M.
Doronin, M.
Michaut, X.
Philippe, L.
Markovits, A.
Fillion, J.-H.
Pauzat, F.
Ellinger, Y.
Guillemin, J.-C.
Laboratoire d'Etude du Rayonnement et de la Matière en Astrophysique (LERMA)
École normale supérieure - Paris (ENS Paris)
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)
Laboratoire de chimie théorique (LCT)
Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
Institut des Sciences Chimiques de Rennes (ISCR)
Université de Rennes 1 (UR1)
Université de Rennes (UNIV-RENNES)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées - Rennes (INSA Rennes)
Institut National des Sciences Appliquées (INSA)-Université de Rennes (UNIV-RENNES)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
PCMI
ANR-11-10EX-0004-02, Labex MiChem
École normale supérieure - Paris (ENS-PSL)
Université de Rennes (UR)-Institut National des Sciences Appliquées - Rennes (INSA Rennes)
Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Ecole Nationale Supérieure de Chimie de Rennes (ENSCR)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)
Source :
Astronomy and Astrophysics-A&A, Astronomy and Astrophysics-A&A, EDP Sciences, 2017, 608, pp.A50. ⟨10.1051/0004-6361/201731144⟩, Astronomy and Astrophysics-A&A, 2017, 608, pp.A50. ⟨10.1051/0004-6361/201731144⟩
Publication Year :
2017
Publisher :
HAL CCSD, 2017.

Abstract

International audience; Context. Almost 20% of the ~200 different species detected in the interstellar and circumstellar media present a carbon atom linked to nitrogen by a triple bond. Of these 37 molecules, 30 are nitrile R-CN compounds, the remaining 7 belonging to the isonitrile R-NC family. How these species behave in their interactions with the grain surfaces is still an open question. Aims. In a previous work, we have investigated whether the difference between nitrile and isonitrile functional groups may induce differences in the adsorption energies of the related isomers at the surfaces of interstellar grains of various nature and morphologies. This study is a follow up of this work, where we focus on the adsorption on carbonaceous aromatic surfaces. Methods. The question is addressed by means of a concerted experimental and theoretical approach of the adsorption energies of CH3CN and CH3NC on the surface of graphite (with and without surface defects). The experimental determination of the molecule and surface interaction energies is carried out using temperature-programmed desorption in an ultra-high vacuum between 70 and 160 K. Theoretically, the question is addressed using first-principle periodic density functional theory to represent the organised solid support.Results. The adsorption energy of each compound is found to be very sensitive to the structural defects of the aromatic carbonaceous surface: these defects, expected to be present in a large numbers and great diversity on a realistic surface, significantly increase the average adsorption energies to more than 50% as compared to adsorption on perfect graphene planes. The most stable isomer (CH3CN) interacts more efficiently with the carbonaceous solid support than the higher energy isomer (CH3NC), however.

Details

Language :
English
ISSN :
00046361
Database :
OpenAIRE
Journal :
Astronomy and Astrophysics-A&A, Astronomy and Astrophysics-A&A, EDP Sciences, 2017, 608, pp.A50. ⟨10.1051/0004-6361/201731144⟩, Astronomy and Astrophysics-A&A, 2017, 608, pp.A50. ⟨10.1051/0004-6361/201731144⟩
Accession number :
edsair.dedup.wf.001..34f42c7d1f2e9fed34c72eb77a67da2b
Full Text :
https://doi.org/10.1051/0004-6361/201731144⟩