Literature DB >> 28690343

State-to-state chemistry and rotational excitation of CH+ in photon-dominated regions.

A Faure1, P Halvick2, T Stoecklin2, P Honvault3, M D Epée Epée4, J Zs Mezei5,6,7,8, O Motapon4,9, I F Schneider5,7, J Tennyson10, O Roncero11, N Bulut12, A Zanchet11.   

Abstract

We present a detailed theoretical study of the rotational excitation of CH+ due to reactive and nonreactive collisions involving C+(2P), H2, CH+, H and free electrons. Specifically, the formation of CH+ proceeds through the reaction between C+(2P) and H2(νH2 = 1, 2), while the collisional (de)excitation and destruction of CH+ is due to collisions with hydrogen atoms and free electrons. State-to-state and initial-state-specific rate coefficients are computed in the kinetic temperature range 10-3000 K for the inelastic, exchange, abstraction and dissociative recombination processes using accurate potential energy surfaces and the best scattering methods. Good agreement, within a factor of 2, is found between the experimental and theoretical thermal rate coefficients, except for the reaction of CH+ with H atoms at kinetic temperatures below 50 K. The full set of collisional and chemical data are then implemented in a radiative transfer model. Our Non-LTE calculations confirm that the formation pumping due to vibrationally excited H2 has a substantial effect on the excitation of CH+ in photon-dominated regions. In addition, we are able to reproduce, within error bars, the far-infrared observations of CH+ toward the Orion Bar and the planetary nebula NGC 7027. Our results further suggest that the population of νH2 = 2 might be significant in the photon-dominated region of NGC 7027.

Entities:  

Keywords:  ISM: molecules; line: formation; molecular data; molecular processes; radiative transfer

Year:  2017        PMID: 28690343      PMCID: PMC5500105          DOI: 10.1093/mnras/stx892

Source DB:  PubMed          Journal:  Mon Not R Astron Soc        ISSN: 0035-8711            Impact factor:   5.287


  12 in total

1.  Rotational Excitation of the OH(+) Radical by Collision with H at Low Temperature.

Authors:  T Stoecklin; M A Gannouni; N E Jaidane; P Halvick; M Hochlaf
Journal:  J Phys Chem A       Date:  2015-12-07       Impact factor: 2.781

2.  Dissociative recombination of CH+: Cross section and final states.

Authors: 
Journal:  Phys Rev A       Date:  1996-11       Impact factor: 3.140

3.  Ab initio potential energy surface of CH and reaction dynamics of H + CH+.

Authors:  Robert Warmbier; Ralf Schneider
Journal:  Phys Chem Chem Phys       Date:  2011-04-19       Impact factor: 3.676

4.  The effect of the reactant internal excitation on the dynamics of the C(+) + H2 reaction.

Authors:  D Herráez-Aguilar; P G Jambrina; M Menéndez; J Aldegunde; R Warmbier; F J Aoiz
Journal:  Phys Chem Chem Phys       Date:  2014-12-07       Impact factor: 3.676

5.  CH(+) Destruction by Reaction with H: Computing Quantum Rates To Model Different Molecular Regions in the Interstellar Medium.

Authors:  S Bovino; T Grassi; F A Gianturco
Journal:  J Phys Chem A       Date:  2015-06-18       Impact factor: 2.781

6.  Exchange and Inelastic OH(+) + H Collisions on the Doublet and Quartet Electronic States.

Authors:  Niyazi Bulut; François Lique; Octavio Roncero
Journal:  J Phys Chem A       Date:  2015-08-13       Impact factor: 2.781

7.  Accurate high level ab initio-based global potential energy surface and dynamics calculations for ground state of CH2(+).

Authors:  Y Q Li; P Y Zhang; K L Han
Journal:  J Chem Phys       Date:  2015-03-28       Impact factor: 3.488

8.  Low temperature rate coefficients of the H + CH(+) → C(+) + H2 reaction: New potential energy surface and time-independent quantum scattering.

Authors:  Ghofran Werfelli; Philippe Halvick; Pascal Honvault; Boutheïna Kerkeni; Thierry Stoecklin
Journal:  J Chem Phys       Date:  2015-09-21       Impact factor: 3.488

9.  Quantum and quasi-classical calculations for the S⁺ + H₂(v,j) → SH⁺(v',j') + H reactive collisions.

Authors:  Alexandre Zanchet; Octavio Roncero; Niyazi Bulut
Journal:  Phys Chem Chem Phys       Date:  2016-04-28       Impact factor: 3.676

10.  Compression and ablation of the photo-irradiated molecular cloud the Orion Bar.

Authors:  Javier R Goicoechea; Jérôme Pety; Sara Cuadrado; José Cernicharo; Edwige Chapillon; Asunción Fuente; Maryvonne Gerin; Christine Joblin; Nuria Marcelino; Paolo Pilleri
Journal:  Nature       Date:  2016-08-10       Impact factor: 49.962

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  2 in total

1.  Molecular tracers of radiative feedback in Orion (OMC-1) Widespread CH+ (J = 1-0), CO (10-9), HCN (6-5), and HCO+ (6-5) emission.

Authors:  Javier R Goicoechea; Miriam G Santa-Maria; Emeric Bron; David Teyssier; Nuria Marcelino; José Cernicharo; Sara Cuadrado
Journal:  Astron Astrophys       Date:  2019-02-01       Impact factor: 5.802

2.  Accurate global potential energy surface for the ground state of CH2 + by extrapolation to the complete basis set limit.

Authors:  Lu Guo; Hongyu Ma; Lulu Zhang; Yuzhi Song; Yongqing Li
Journal:  RSC Adv       Date:  2018-04-11       Impact factor: 3.361

  2 in total

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