Semiempirical breakdown curves of C$_2$N$^{(+)}$ and C$_3$N$^{(+)}$molecules; application to products branching ratios predictions of physical and chemical processes involving these adducts

Tijani Idbarkach (1) , Thejus Mahajan (2) , Marin Chabot (1) , Karine Béroff (2) , Néstor Aguirre (3) , Sergio Díaz-Tendero (4) , Thibaut Launoy (5) , Arnaud Le Padellec (6) , Luc Perrot (1) , Maëlle Bonnin (2) , Kim Cuong Le (2) , Florian Geslin (1) , Nicolas de Sereville (1) , Fairouz Hammache (1) , Aurélie Jallat (1) , Anne Meyer (1) , Émeline Charon (7) , Thomas Pino (2) , Thibault Hamelin (1) , Valentine Wakelam (8)

1 IPNO - Institut de Physique Nucléaire d'Orsay
2 ISMO - Institut des Sciences Moléculaires d'Orsay
3 Theoretical Division [LANL]
4 Departamento de Qímica, Módulo 13, Universidad Autónoma de Madrid
5 Service de Chimie Quantique et Photophysique
6 IRAP - Institut de recherche en astrophysique et planétologie
7 CSNSM - Centre de Sciences Nucléaires et de Sciences de la Matière
8 AMOR 2018

We constructed semiempirical breakdown curves (BDC) for C$_2$N, C$_3$N, C$_2$N$^+$ and C$_3$N$^+$ 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$_2$N$^{(+)}$ and C$_3$N$^{(+)}$ 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$_n$N abundances in cold cores were simulated.

Domaines: Cosmologie et astrophysique extra-galactique [astro-ph.CO]

Tijani Idbarkach, Thejus Mahajan, Marin Chabot, Karine Béroff, Néstor Aguirre, et al.. Semiempirical breakdown curves of C$_2$N$^{(+)}$ and C$_3$N$^{(+)}$molecules; application to products branching ratios predictions of physical and chemical processes involving these adducts. Molecular Astrophysics, 2018, 12, pp.25 - 32. ⟨10.1016/j.molap.2018.06.003⟩. ⟨hal-01868314⟩