Semiempirical breakdown curves of C2N(+) and C3N(+) molecules; application to products branching ratios predictions of physical and chemical processes involving these adducts

Tijani Barkach; Thejus  Mahajan; Marin Chabot; Karine Béroff; Néstor  F. Aguirre; Kim Cuong  Le; S. Diaz-Tendero; Thibaut Launoy; A. Le Padellec; Luc Perrot; Maelle A. Bonnin; Florian Geslin; Nicolas de Séréville; Fairouz Hammache; Aurélie Jallat; Anne Meyer; Emeline Charon; Thomas Pino; Thibault Hamelin; Valentine Wakelam

doi:10.1016/j.molap.2018.06.003

Semiempirical breakdown curves of C2N(+) and C3N(+) molecules; application to products branching ratios predictions of physical and chemical processes involving these adducts

Tijani Barkach, Thejus Mahajan, Marin Chabot, Karine Béroff, Néstor F. Aguirre, Kim Cuong Le, S. Diaz-Tendero, Thibaut Launoy, A. Le Padellec, Luc Perrot, Maelle A. Bonnin, Florian Geslin, Nicolas de Séréville, Fairouz Hammache, Aurélie Jallat, Anne Meyer, Emeline Charon, Thomas Pino, Thibault Hamelin, Valentine Wakelam

Research output: Contribution to journal › Article › peer-review

Abstract

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.

Original language	English
Pages (from-to)	25-32
Journal	Molecular Astrophysics
Volume	12
DOIs	https://doi.org/10.1016/j.molap.2018.06.003
Publication status	Published - 2018 Sep
Externally published	Yes

Subject classification (UKÄ)

Subatomic Physics
Atom and Molecular Physics and Optics
Theoretical Chemistry

Keywords

Carbon and nitrogen-based molecules Dissociation branching ratios Breakdown curves Astrochemistry KIDA database Cold cores

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10.1016/j.molap.2018.06.003

https://www.sciencedirect.com/science/article/pii/S2405675818300125#!

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Barkach, T., Mahajan, T., Chabot, M., Béroff, K., F. Aguirre, N., Le, K. C., Diaz-Tendero, S., Launoy, T., Le Padellec, A., Perrot, L., Bonnin, M. A., Geslin, F., Séréville, N. D., Hammache, F., Jallat, A., Meyer, A., Charon, E., Pino, T., Hamelin, T., & Wakelam, V. (2018). Semiempirical breakdown curves of C2N(+) and C3N(+) molecules; application to products branching ratios predictions of physical and chemical processes involving these adducts. Molecular Astrophysics, 12, 25-32. https://doi.org/10.1016/j.molap.2018.06.003

@article{e3f1a2b16d2e46cf9f0f66c0b7fba6bb,

title = "Semiempirical breakdown curves of C2N(+) and C3N(+) molecules; application to products branching ratios predictions of physical and chemical processes involving these adducts",

abstract = "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.",

keywords = "Carbon and nitrogen-based molecules Dissociation branching ratios Breakdown curves Astrochemistry KIDA database Cold cores",

author = "Tijani Barkach and Thejus Mahajan and Marin Chabot and Karine B{\'e}roff and {F. Aguirre}, N{\'e}stor and Le, {Kim Cuong} and S. Diaz-Tendero and Thibaut Launoy and {Le Padellec}, A. and Luc Perrot and Bonnin, {Maelle A.} and Florian Geslin and S{\'e}r{\'e}ville, {Nicolas de} and Fairouz Hammache and Aur{\'e}lie Jallat and Anne Meyer and Emeline Charon and Thomas Pino and Thibault Hamelin and Valentine Wakelam",

year = "2018",

month = sep,

doi = "10.1016/j.molap.2018.06.003",

language = "English",

volume = "12",

pages = "25--32",

journal = "Molecular Astrophysics",

issn = "2405-6758",

publisher = "Elsevier",

}

Barkach, T, Mahajan, T, Chabot, M, Béroff, K, F. Aguirre, N, Le, KC, Diaz-Tendero, S, Launoy, T, Le Padellec, A, Perrot, L, Bonnin, MA, Geslin, F, Séréville, ND, Hammache, F, Jallat, A, Meyer, A, Charon, E, Pino, T, Hamelin, T & Wakelam, V 2018, 'Semiempirical breakdown curves of C2N(+) and C3N(+) molecules; application to products branching ratios predictions of physical and chemical processes involving these adducts', Molecular Astrophysics, vol. 12, pp. 25-32. https://doi.org/10.1016/j.molap.2018.06.003

TY - JOUR

T1 - Semiempirical breakdown curves of C2N(+) and C3N(+) molecules; application to products branching ratios predictions of physical and chemical processes involving these adducts

AU - Barkach, Tijani

AU - Mahajan, Thejus

AU - Chabot, Marin

AU - Béroff, Karine

AU - F. Aguirre, Néstor

AU - Le, Kim Cuong

AU - Diaz-Tendero, S.

AU - Launoy, Thibaut

AU - Le Padellec, A.

AU - Perrot, Luc

AU - Bonnin, Maelle A.

AU - Geslin, Florian

AU - Séréville, Nicolas de

AU - Hammache, Fairouz

AU - Jallat, Aurélie

AU - Meyer, Anne

AU - Charon, Emeline

AU - Pino, Thomas

AU - Hamelin, Thibault

AU - Wakelam, Valentine

PY - 2018/9

Y1 - 2018/9

N2 - 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.

AB - 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.

KW - Carbon and nitrogen-based molecules Dissociation branching ratios Breakdown curves Astrochemistry KIDA database Cold cores

U2 - 10.1016/j.molap.2018.06.003

DO - 10.1016/j.molap.2018.06.003

M3 - Article

VL - 12

SP - 25

EP - 32

JO - Molecular Astrophysics

JF - Molecular Astrophysics

SN - 2405-6758

ER -

Semiempirical breakdown curves of C2N(+) and C3N(+) molecules; application to products branching ratios predictions of physical and chemical processes involving these adducts

Abstract

Subject classification (UKÄ)

Keywords

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