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Title: SULFUR CHEMISTRY IN THE INTERSTELLAR MEDIUM: THE EFFECT OF VIBRATIONAL EXCITATION OF H{sub 2} IN THE REACTION S{sup +}+H{sub 2} →SH{sup +}+H

Abstract

Specific rate constants for the S{sup +}+H{sub 2} reaction are calculated using the ground quartet state potential energy surface and quasi-classical trajectories method. The calculations are performed for H{sub 2} in different vibrational states v = 0-4 and thermal conditions for rotational and translational energies. The calculations lead to slow rate constants for the H{sub 2} 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{sup +}+H{sub 2} for H{sub 2} 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{sup +} in the photon-dominated region Orion Bar and find an abundance enhancement of nearly three orders of magnitude when the reaction of S{sup +} with vibrationally excited H{sub 2} is taken intomore » account. The title reaction is thus one of the principal mechanisms in forming SH{sup +} in interstellar clouds.« less

Authors:
;  [1];  [2];  [3];  [4]
  1. Instituto de Estructura de la Materia (IEM-CSIC), C.S.I.C. Serrano 123, E-28006 Madrid (Spain)
  2. University Bordeaux, LAB, UMR 5804, F-33270 Floirac (France)
  3. Unidad Asociada UAM-CSIC. Departamento de Química Física, Facultad de Ciencias, Universidad Autónoma de Madrid, E-28049 Madrid (Spain)
  4. Instituto de Física Fundamental (IFF-CSIC), C.S.I.C. Serrano 123, E-28006 Madrid (Spain)
Publication Date:
OSTI Identifier:
22273300
Resource Type:
Journal Article
Resource Relation:
Journal Name: Astronomical Journal (New York, N.Y. Online); Journal Volume: 146; Journal Issue: 5; Other Information: Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
79 ASTROPHYSICS, COSMOLOGY AND ASTRONOMY; ASTRONOMY; ASTROPHYSICS; CARBON IONS; COMPARATIVE EVALUATIONS; COSMOCHEMISTRY; EXCITATION; HYDROGEN; INTERSTELLAR SPACE; MOLECULES; PHOTONS; POTENTIAL ENERGY; REACTION KINETICS; REACTIVITY; STARS; SULFUR IONS; VIBRATIONAL STATES

Citation Formats

Zanchet, Alexandre, Herrero, Victor J., Agúndez, Marcelino, Aguado, Alfredo, and Roncero, Octavio. SULFUR CHEMISTRY IN THE INTERSTELLAR MEDIUM: THE EFFECT OF VIBRATIONAL EXCITATION OF H{sub 2} IN THE REACTION S{sup +}+H{sub 2} →SH{sup +}+H. United States: N. p., 2013. Web. doi:10.1088/0004-6256/146/5/125.
Zanchet, Alexandre, Herrero, Victor J., Agúndez, Marcelino, Aguado, Alfredo, & Roncero, Octavio. SULFUR CHEMISTRY IN THE INTERSTELLAR MEDIUM: THE EFFECT OF VIBRATIONAL EXCITATION OF H{sub 2} IN THE REACTION S{sup +}+H{sub 2} →SH{sup +}+H. United States. doi:10.1088/0004-6256/146/5/125.
Zanchet, Alexandre, Herrero, Victor J., Agúndez, Marcelino, Aguado, Alfredo, and Roncero, Octavio. Fri . "SULFUR CHEMISTRY IN THE INTERSTELLAR MEDIUM: THE EFFECT OF VIBRATIONAL EXCITATION OF H{sub 2} IN THE REACTION S{sup +}+H{sub 2} →SH{sup +}+H". United States. doi:10.1088/0004-6256/146/5/125.
@article{osti_22273300,
title = {SULFUR CHEMISTRY IN THE INTERSTELLAR MEDIUM: THE EFFECT OF VIBRATIONAL EXCITATION OF H{sub 2} IN THE REACTION S{sup +}+H{sub 2} →SH{sup +}+H},
author = {Zanchet, Alexandre and Herrero, Victor J. and Agúndez, Marcelino and Aguado, Alfredo and Roncero, Octavio},
abstractNote = {Specific rate constants for the S{sup +}+H{sub 2} reaction are calculated using the ground quartet state potential energy surface and quasi-classical trajectories method. The calculations are performed for H{sub 2} in different vibrational states v = 0-4 and thermal conditions for rotational and translational energies. The calculations lead to slow rate constants for the H{sub 2} 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{sup +}+H{sub 2} for H{sub 2} 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{sup +} in the photon-dominated region Orion Bar and find an abundance enhancement of nearly three orders of magnitude when the reaction of S{sup +} with vibrationally excited H{sub 2} is taken into account. The title reaction is thus one of the principal mechanisms in forming SH{sup +} in interstellar clouds.},
doi = {10.1088/0004-6256/146/5/125},
journal = {Astronomical Journal (New York, N.Y. Online)},
number = 5,
volume = 146,
place = {United States},
year = {Fri Nov 01 00:00:00 EDT 2013},
month = {Fri Nov 01 00:00:00 EDT 2013}
}