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Title: Semiempirical breakdown curves of C 2N (+) and C 3N (+) molecules; application to products branching ratios predictions of physical and chemical processes involving these adducts

Abstract

Here, we constructed semiempirical breakdown curves (BDC) for C 2N, C 3N, C 2N + and C 3N + molecules. These BDC, which are energy dependent dissociation branching ratios (BR) curves, were used to predict products branching ratios for various processes leading to the formation of C 2N (+) and C 3N (+) excited adducts. These processes, of astrochemical interest, are neutral-neutral and ion-molecule reactions, dissociative recombination and charge transfer reactions with He +. Model predictions of BR are compared to the literature data and to reported values in the kinetic database for astrochemistry KIDA. With the new BR values, the C nN abundances in cold cores were simulated.

Authors:
ORCiD logo [1]; ORCiD logo [2];  [1];  [2]; ORCiD logo [3];  [4];  [5];  [6];  [1]; ORCiD logo [2];  [7];  [1];  [1];  [1];  [1];  [1];  [8];  [2];  [1]; ORCiD logo [9]
  1. IN2P3-CNRS and Univ. Paris-Sud, Orsay Cedex (France)
  2. INP-CNRS and Univ. Paris-Sud, Orsay Cedex (France)
  3. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  4. Univ. Autonoma de Madrid, Madrid (Spain)
  5. Univ. Libre de Bruxelles, Bruxelles (Belgium)
  6. Institut de Recherche en Astrophysique et Planetologie CINP-CNRS Univ. Toulouse, Toulouse (France)
  7. INP-CNRS and Univ. Paris-Sud, Orsay Cedex (France); Lund Univ. (Sweden)
  8. Centre de Sciences Nucleaires et de Sciences de la Matiere, Orsay Cedex (France); Univ. Paris Saclay, GIf sur Yvette (France)
  9. Univ. de Bordeaux CNRS, Pessac (France)
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
Universities/Institutions; USDOE
OSTI Identifier:
1458963
Report Number(s):
LA-UR-18-23607
Journal ID: ISSN 2405-6758
Grant/Contract Number:
AC52-06NA25396
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Molecular Astrophysics
Additional Journal Information:
Journal Name: Molecular Astrophysics; Journal ID: ISSN 2405-6758
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Inorganic and Physical Chemistry; Carbon and nitrogen-based molecules; dissociation branching ratios; breakdown curves; astrochemistry; KIDA database; cold cores

Citation Formats

IdBarkach, Tijani, Mahajan, Thejus, Chabot, Marin, Beroff, Karine, Aguirre, Nestor F., Diaz-Tendero, Sergio, Launoy, Thibaut, Padellec, Arnaud Le, Perrot, Luc, Bonnin, Maelle A., Le, Kim Cuong, Geslin, Florian, de Sereville, Nicolas, Hammache, Fairouz, Jallat, Aurelie, Meyer, Anne, Charon, Emeline, Pino, Thomas, Hamelin, Thibault, and Wakelam, Valentine. Semiempirical breakdown curves of C2N(+) and C3N(+) molecules; application to products branching ratios predictions of physical and chemical processes involving these adducts. United States: N. p., 2018. Web. doi:10.1016/j.molap.2018.06.003.
IdBarkach, Tijani, Mahajan, Thejus, Chabot, Marin, Beroff, Karine, Aguirre, Nestor F., Diaz-Tendero, Sergio, Launoy, Thibaut, Padellec, Arnaud Le, Perrot, Luc, Bonnin, Maelle A., Le, Kim Cuong, Geslin, Florian, de Sereville, Nicolas, Hammache, Fairouz, Jallat, Aurelie, Meyer, Anne, Charon, Emeline, Pino, Thomas, Hamelin, Thibault, & Wakelam, Valentine. Semiempirical breakdown curves of C2N(+) and C3N(+) molecules; application to products branching ratios predictions of physical and chemical processes involving these adducts. United States. doi:10.1016/j.molap.2018.06.003.
IdBarkach, Tijani, Mahajan, Thejus, Chabot, Marin, Beroff, Karine, Aguirre, Nestor F., Diaz-Tendero, Sergio, Launoy, Thibaut, Padellec, Arnaud Le, Perrot, Luc, Bonnin, Maelle A., Le, Kim Cuong, Geslin, Florian, de Sereville, Nicolas, Hammache, Fairouz, Jallat, Aurelie, Meyer, Anne, Charon, Emeline, Pino, Thomas, Hamelin, Thibault, and Wakelam, Valentine. Tue . "Semiempirical breakdown curves of C2N(+) and C3N(+) molecules; application to products branching ratios predictions of physical and chemical processes involving these adducts". United States. doi:10.1016/j.molap.2018.06.003.
@article{osti_1458963,
title = {Semiempirical breakdown curves of C2N(+) and C3N(+) molecules; application to products branching ratios predictions of physical and chemical processes involving these adducts},
author = {IdBarkach, Tijani and Mahajan, Thejus and Chabot, Marin and Beroff, Karine and Aguirre, Nestor F. and Diaz-Tendero, Sergio and Launoy, Thibaut and Padellec, Arnaud Le and Perrot, Luc and Bonnin, Maelle A. and Le, Kim Cuong and Geslin, Florian and de Sereville, Nicolas and Hammache, Fairouz and Jallat, Aurelie and Meyer, Anne and Charon, Emeline and Pino, Thomas and Hamelin, Thibault and Wakelam, Valentine},
abstractNote = {Here, we constructed semiempirical breakdown curves (BDC) for C2N, C3N, C2N+ and C3N+ molecules. These BDC, which are energy dependent dissociation branching ratios (BR) curves, were used to predict products branching ratios for various processes leading to the formation of C2N(+) and C3N(+) excited adducts. These processes, of astrochemical interest, are neutral-neutral and ion-molecule reactions, dissociative recombination and charge transfer reactions with He+. Model predictions of BR are compared to the literature data and to reported values in the kinetic database for astrochemistry KIDA. With the new BR values, the CnN abundances in cold cores were simulated.},
doi = {10.1016/j.molap.2018.06.003},
journal = {Molecular Astrophysics},
number = ,
volume = ,
place = {United States},
year = {Tue Jun 26 00:00:00 EDT 2018},
month = {Tue Jun 26 00:00:00 EDT 2018}
}

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