Among all closed-shell species observed in molecular clouds, molecules with C-3v symmetry play a crucial role, as their rotational spectroscopy allows them to behave as a gas thermometer. In the interstellar medium, methyl cyanide (CH3CN) is the second most abundant of those (after ammonia, NH3). Its isomer, methyl isocyanide (CH3NC), is less abundant but has been detected in many astrophysical sources. In order to assess their absolute and relative abundances, it is essential to understand their collisional excitation properties. This paper reports the calculation of rate coefficients for rotational excitation of CH3CN and CH3NC molecules with He atoms, from low (5 K) to moderate (100 K) temperatures. We include the first 74 and 66 rotational states of both para and ortho symmetries of CH3CN and CH3NC, respectively. A propensity for Delta j = 2 transitions is observed in the case of CH3CN-He collisions, whereas in the case of CH3NC-He a propensity for Delta j = 1 is observed for transitions involving low values of j and at low temperatures, a propensity for Delta j = 2 is observed for higher values of j and at high temperatures. A comparison of rate coefficients shows differences up to a factor of 3, depending on temperature and on the ortho/para symmetries for dominant transitions. This confirms the importance of having specific collisional data for each isomer. We also examined the effect of these new rates on the CH3CN and CH3NC excitation in molecular clouds by performing radiative transfer calculations of the excitation and brightness temperatures for several detected lines.
机构:
Univ Tunis El Manar, Lab Spect Atom Mol & Applicat LSAMA, Tunis 1060, TunisiaUniv Tunis El Manar, Lab Spect Atom Mol & Applicat LSAMA, Tunis 1060, Tunisia
Sahnoun, E.
Ajili, Y.
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Univ Tunis El Manar, Lab Spect Atom Mol & Applicat LSAMA, Tunis 1060, TunisiaUniv Tunis El Manar, Lab Spect Atom Mol & Applicat LSAMA, Tunis 1060, Tunisia
Ajili, Y.
Hammami, K.
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Univ Tunis El Manar, Lab Spect Atom Mol & Applicat LSAMA, Tunis 1060, TunisiaUniv Tunis El Manar, Lab Spect Atom Mol & Applicat LSAMA, Tunis 1060, Tunisia
Hammami, K.
Jaidane, N. -E.
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Univ Tunis El Manar, Lab Spect Atom Mol & Applicat LSAMA, Tunis 1060, TunisiaUniv Tunis El Manar, Lab Spect Atom Mol & Applicat LSAMA, Tunis 1060, Tunisia
Jaidane, N. -E.
Al Mogren, M. Mogren
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King Saud Univ, Fac Sci, Chem Dept, POB 2455, Riyadh 11451, Saudi ArabiaUniv Tunis El Manar, Lab Spect Atom Mol & Applicat LSAMA, Tunis 1060, Tunisia
Al Mogren, M. Mogren
Hochlaf, M.
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Univ Paris Est, Lab Modelisat & Simulat Multi Echelle, CNRS, MSME,UMR 8208, 5 Bd Descartes, F-77454 Marne La Vallee, FranceUniv Tunis El Manar, Lab Spect Atom Mol & Applicat LSAMA, Tunis 1060, Tunisia
机构:
Univ Autonoma Chile, Fac Ingn, Inst Ciencias Aplicadas, Ave Pedro Valdivia 425, Santiago 7500912, ChileUniv Autonoma Chile, Fac Ingn, Inst Ciencias Aplicadas, Ave Pedro Valdivia 425, Santiago 7500912, Chile
Denis-Alpizar, Otoniel
Guerra, Cristian
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Univ Autonoma Chile, Fac Ingn, Inst Ciencias Aplicadas, Ave Pedro Valdivia 425, Santiago 7500912, ChileUniv Autonoma Chile, Fac Ingn, Inst Ciencias Aplicadas, Ave Pedro Valdivia 425, Santiago 7500912, Chile
Guerra, Cristian
Zarate, Ximena
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Univ Autonoma Chile, Fac Ingn, Inst Ciencias Aplicadas, Ave Pedro Valdivia 425, Santiago 7500912, ChileUniv Autonoma Chile, Fac Ingn, Inst Ciencias Aplicadas, Ave Pedro Valdivia 425, Santiago 7500912, Chile
机构:
Laboratoire de Spectroscopie Atomique, Moléculaire et Applications - LSAMA, Université de Tunis El Manar, TunisLaboratoire de Spectroscopie Atomique, Moléculaire et Applications - LSAMA, Université de Tunis El Manar, Tunis
Sahnoun E.
Ajili Y.
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Laboratoire de Spectroscopie Atomique, Moléculaire et Applications - LSAMA, Université de Tunis El Manar, TunisLaboratoire de Spectroscopie Atomique, Moléculaire et Applications - LSAMA, Université de Tunis El Manar, Tunis
Ajili Y.
Hammami K.
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Laboratoire de Spectroscopie Atomique, Moléculaire et Applications - LSAMA, Université de Tunis El Manar, TunisLaboratoire de Spectroscopie Atomique, Moléculaire et Applications - LSAMA, Université de Tunis El Manar, Tunis
Hammami K.
Jaidane N.-E.
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Laboratoire de Spectroscopie Atomique, Moléculaire et Applications - LSAMA, Université de Tunis El Manar, TunisLaboratoire de Spectroscopie Atomique, Moléculaire et Applications - LSAMA, Université de Tunis El Manar, Tunis
Jaidane N.-E.
Al Mogren M.M.
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Chemistry Department, Faculty of Science, King Saud University, PO Box 2455, RiyadhLaboratoire de Spectroscopie Atomique, Moléculaire et Applications - LSAMA, Université de Tunis El Manar, Tunis
Al Mogren M.M.
Hochlaf M.
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Laboratoire Modélisation et Simulation Multi Echelle, Université Paris-Est, MSME UMR 8208 CNRS, 5 bd Descartes, Marne-la-ValléeLaboratoire de Spectroscopie Atomique, Moléculaire et Applications - LSAMA, Université de Tunis El Manar, Tunis
机构:
Univ Havre, CNRS, UMR 6294, LOMC, 25 Rue Philippe Lebon,BP 1123, F-76063 Le Havre, FranceUniv Havre, CNRS, UMR 6294, LOMC, 25 Rue Philippe Lebon,BP 1123, F-76063 Le Havre, France
Bop, Cheikh T.
Batista-Romero, Fidel A.
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Univ Havre, CNRS, UMR 6294, LOMC, 25 Rue Philippe Lebon,BP 1123, F-76063 Le Havre, FranceUniv Havre, CNRS, UMR 6294, LOMC, 25 Rue Philippe Lebon,BP 1123, F-76063 Le Havre, France
Batista-Romero, Fidel A.
Faure, Alexandre
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机构:
Univ Grenoble Alpes, CNRS, IPAG, F-38000 Grenoble, FranceUniv Havre, CNRS, UMR 6294, LOMC, 25 Rue Philippe Lebon,BP 1123, F-76063 Le Havre, France
Faure, Alexandre
Quintas-Sanchez, Ernesto
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Missouri Univ Sci & Technol, Dept Chem, Rolla, MO 65409 USAUniv Havre, CNRS, UMR 6294, LOMC, 25 Rue Philippe Lebon,BP 1123, F-76063 Le Havre, France
Quintas-Sanchez, Ernesto
Dawes, Richard
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机构:
Missouri Univ Sci & Technol, Dept Chem, Rolla, MO 65409 USAUniv Havre, CNRS, UMR 6294, LOMC, 25 Rue Philippe Lebon,BP 1123, F-76063 Le Havre, France
Dawes, Richard
Lique, Francois
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Univ Havre, CNRS, UMR 6294, LOMC, 25 Rue Philippe Lebon,BP 1123, F-76063 Le Havre, FranceUniv Havre, CNRS, UMR 6294, LOMC, 25 Rue Philippe Lebon,BP 1123, F-76063 Le Havre, France
Lique, Francois
ACS EARTH AND SPACE CHEMISTRY,
2019,
3
(07):
: 1151
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1157