Sulfur Chemistry in the Interstellar Medium: The Effect of Vibrational Excitation of H2 in the Reaction S++H2 →SH++H
| dc.contributor.author | ZANCHET, Alexandre | |
| hal.structure.identifier | SSE 2013 | |
| dc.contributor.author | AGÚNDEZ, M. | |
| hal.structure.identifier | Instituto de Estructura de la Materia | |
| dc.contributor.author | HERRERO, Victor J. | |
| dc.contributor.author | AGUADO, Alfredo | |
| dc.contributor.author | RONCERO, Octavio | |
| dc.date.issued | 2013-11 | |
| dc.identifier.issn | 0004-6256 | |
| dc.description.abstractEn | Specific rate constants for the S++H2 reaction are calculated using the ground quartet state potential energy surface and quasi-classical trajectories method. The calculations are performed for H2 in different vibrational states v = 0-4 and thermal conditions for rotational and translational energies. The calculations lead to slow rate constants for the H2 vibrational levels v = 0, 1, but a significant enhancement of reactivity is observed when v > 1. The inverse reaction is also studied and rate constants for v = 0 are presented. For comparison, we also recompile previous results of state-to-state rate constants of the C++H2 for H2 in rovibrational state v, j = (0,0), (1,0), (1,1), and (2,0). The calculated rate coefficients are fitted using an improved form of the standard three-parameter Arrhenius-like equation, which is found to be very accurate in fitting rate constants over a wide range of temperatures (10-4000 K). We investigate the impact of the calculated rate coefficients on the formation of SH+ in the photon-dominated region Orion Bar and find an abundance enhancement of nearly three orders of magnitude when the reaction of S+ with vibrationally excited H2 is taken into account. The title reaction is thus one of the principal mechanisms in forming SH+ in interstellar clouds. | |
| dc.language.iso | en | |
| dc.publisher | American Astronomical Society | |
| dc.subject.en | astrochemistry | |
| dc.subject.en | ISM: molecules | |
| dc.subject.en | molecular processes | |
| dc.subject.en | photon-dominated region: PDR | |
| dc.title.en | Sulfur Chemistry in the Interstellar Medium: The Effect of Vibrational Excitation of H2 in the Reaction S++H2 →SH++H | |
| dc.type | Article de revue | |
| dc.identifier.doi | 10.1088/0004-6256/146/5/125 | |
| dc.subject.hal | Planète et Univers [physics]/Astrophysique [astro-ph]/Planétologie et astrophysique de la terre [astro-ph.EP] | |
| dc.subject.hal | Physique [physics]/Astrophysique [astro-ph]/Planétologie et astrophysique de la terre [astro-ph.EP] | |
| bordeaux.journal | The Astronomical Journal | |
| bordeaux.page | 125 | |
| bordeaux.volume | 146 | |
| bordeaux.peerReviewed | oui | |
| hal.identifier | hal-01016717 | |
| hal.version | 1 | |
| hal.popular | non | |
| hal.audience | Internationale | |
| hal.origin.link | https://hal.archives-ouvertes.fr//hal-01016717v1 | |
| bordeaux.COinS | ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=The%20Astronomical%20Journal&rft.date=2013-11&rft.volume=146&rft.spage=125&rft.epage=125&rft.eissn=0004-6256&rft.issn=0004-6256&rft.au=ZANCHET,%20Alexandre&AG%C3%9ANDEZ,%20M.&HERRERO,%20Victor%20J.&AGUADO,%20Alfredo&RONCERO,%20Octavio&rft.genre=article |
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