Inelastic rate coefficients for collisions of C4H- with para-H2(j = 0) at low temperatures
| Autor: | María Luisa Senent, Christian Balança, Fabien Dumouchel, Fabrice Dayou, Nicole Feautrier |
|---|---|
| Přispěvatelé: | Centre National de la Recherche Scientifique (France), Centre National D'Etudes Spatiales (France), Agence Nationale de la Recherche (France), European Cooperation in Science and Technology, Ministerio de Economía y Competitividad (España), l'Observatoire de Paris, Laboratoire d'Etude du Rayonnement et de la Matière en Astrophysique (LERMA (UMR_8112)), Sorbonne Université (SU)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Université de Cergy Pontoise (UCP), Université Paris-Seine-Université Paris-Seine-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL) |
| Rok vydání: | 2019 |
| Předmět: |
Physics
[PHYS]Physics [physics] 010304 chemical physics Scattering Molecular data Astronomy and Astrophysics 7. Clean energy 01 natural sciences Molecular processes 3. Good health Nuclear physics 13. Climate action Space and Planetary Science 0103 physical sciences [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph] 010303 astronomy & astrophysics ComputingMilieux_MISCELLANEOUS |
| Zdroj: | Monthly Notices of the Royal Astronomical Society Monthly Notices of the Royal Astronomical Society, Oxford University Press (OUP): Policy P-Oxford Open Option A, 2019, 486 (1), pp.422-429. ⟨10.1093/mnras/stz865⟩ Digital.CSIC. Repositorio Institucional del CSIC instname |
| ISSN: | 1365-2966 0035-8711 |
| DOI: | 10.1093/mnras/stz865⟩ |
| Popis: | 8 pags., 9 figs., 1 tab. Anions are very reactive species that can play important roles in the chemical evolution of the interstellar medium. Following the detection of CH carbon chains, investigations on detectable anions led to the discovery of five new species during the last decade. The CH anion was first observed in the circumstellar envelope of IRC + 10216 and in TMC-1. In these cool and low-density regions, an accurate modelling of the chemical and physical conditions of the observed emission lines requires the knowledge of both radiative and collisional excitation rates. We present here the first interaction potential energy surface and inelastic rate coefficients for CH in collision with para-H(j = 0). The ab initio interaction energies were computed using highly correlated coupled cluster procedures. Quantum scattering calculations were performed with the ab initio potential energy surface. The close-coupling approach was used to compute rotational excitation cross-sections of CH for the first 21 j rotational levels (up to j = 20) and for collisional energies up to 500 cm. State-to-state rate coefficients were obtained for the temperature range 2-100 K. This work was supported by the CNRS program ‘Physique et Chimie du Milieu Interstellaire’(PCMI) co-funded by the Centre National d’Etudes Spatiales (CNES). This research was also supported by the French National Research Agency (ANR) through a grant to the Anion Cos Chem project (ANR-14-CE33-0013) and by the COST action CM1401. MLS acknowledges the MINECO for the grant ’FIS 2016-76418-P. Part of the calculations were performed using HPC resources from GENCI-[CINES/IDRIS] (grant No2010040883) and work stations at the Centre Informatique of Paris Observatory. This work was also granted access to the HPC resources of MesoPSL financed by the Region Ile de France and the project Equip@Meso (reference ANR-10-EQPX-29-01) of the programme Investissements d’Avenir supervized by the Agence Nationale pour la Recherche. |
| Databáze: | OpenAIRE |
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