# Breakdown curves of carbon-based molecules for astrochemistry

M Chabot, K Béroff, P Gratier, A Jallat, V Wakelam, J P Sanchez, N
Aguirre, S Diaz-Tendero, M Alcami, F Martin, et al.

► To cite this version:

M Chabot, K Béroff, P Gratier, A Jallat, V Wakelam, et al. Breakdown curves of carbon-based molecules for astrochemistry. 29th International Conference on Photonic, Electronic, and Atomic Collisions (ICPEAC), Jul 2015, Tolède, Spain. 10.1088/1742-6596/635/3/032107. [hal-04780849]

HAL Id: hal-04780849

https://hal.science/hal-04780849v1

Submitted on 13 Nov 2024

HAL is a multi-disciplinary open access
archive for the deposit and dissemination of sci-
entific research documents, whether they are pub-
lished or not. The documents may come from
teaching and research institutions in France or
abroad, or from public or private research centers.

L'archive ouverte pluridisciplinaire HAL, est
destinée au dépôt et à la diffusion de documents
scientifiques de niveau recherche, publiés ou non,
émanant des établissements d'enseignement et de
recherche français ou étrangers, des laboratoires
publics ou privés.

<figure><img src="image_1.png" /></figure>

Distributed under a Creative Commons Attribution 4.0 International License
<figure><img src="image_2.png" /></figure>

PAPER • OPEN ACCESS

# Breakdown curves of carbon-based molecules for astrochemistry

To cite this article: M Chabot et al 2015 *J. Phys.: Conf. Ser.* **635** 032107

View the [article online](#) for updates and enhancements.

You may also like

- *Chromium-Benzenedicarboxylates Metal Organic Framework for Supersensitive and Selective Electrochemical Sensor of Toxic Cd²⁺, Pb²⁺, and Hg²⁺ Metal Ions: Study of their Interactive Mechanism*

Kamlesh B. Deore, Shubham S. Patil, Vijaykiran N. Narwade et al.

- *Review—Recent Trend on Two-Dimensional Metal-Organic Frameworks for Electrochemical Biosensor Application*

Muhamad Taufik Ulhakim, Muhammad Rezki, Kariana Kusuma Dewi et al.

- *Tb<sub>3</sub>-Zn<sub>4</sub>-BDC MQF films synthesized in-situ by the aero-sol-assisted chemical vapor deposition*

Julio César Espinoza-Tapia, Luis Alberto Becerril-Landero, Enrique Barrera-Calva et al.

<figure><img src="image_3.png" /></figure>
Breakdown curves of carbon-based molecules for astrochemistry

M. Chabot†, K. Béroff*, P.Gratier#, A.Jallat†, V.Wakelam*, J.P Sanchez§, N.Aguirre§, S.Diaz-Tendero§, M.Alcami§, F.Martin§, P.A Hervieux§

† Institut de Physique Nucléaire d'Orsay, Université Paris Sud and CNRS F-91406 Orsay Cedex, France

* Institut des Sciences Moléculaires d'Orsay, Université Paris Sud and CNRS F-91405 Orsay Cedex, France

# Institut de Radioastronomie Millimétrique, F-38406 Saint Martin d'Hères, France

Laboratoire d'Astrophysique de Bordeaux, Université de Bordeaux and CNRS, F-33270 Floirac, France

§ Universidad Autónoma de Madrid, Cantoblanco E-28049 Madrid, Spain

§ IPCMS, Université de Strasbourg, 67034 Strasbourg, France

**Synopsis:** Breakdown curves (BDC), which are energy dependent fragmentation branching ratios, constitute a kind of "identity card" of an excited molecule or cluster. We developed a method for constructing semi-empirical BDC, based on fragmentation measurements and structural known quantities of the considered species. Calculations of BDC have been performed within the statistical M3C theory. We will present a comparison of the two methods for some species and discuss application of these results to astrochemistry.

Carbon-based molecules are ubiquitous in astrophysical environments. The study of the composition and evolution of the molecular material is called astrochemistry. It involves the knowledge of a huge amount of data including fragmentation branching ratios (BR). The experimental group in Orsay (France) has developed a dedicated set-up (AGAT) for fragmentation recording of molecules and clusters of known charge and internal energy. Recently they showed how these data could be used to provide, within a statistical fragmentation context, BR for numerous physical and chemical processes of astrophysical interest [1]. The method relies on the construction of Breakdown curves (BDC, which are energy dependent BR) constrained by the experimental measurements.

On the other hand, BDC have been calculated within the Microcanonical Metropolis Monte Carlo method (M3C), recently improved [2]. Figure 1 shows, for the C₇ cluster, a comparison between the semi-empirical BDC and those obtained through M3C. The very good agreement validates so far the semi-empirical approach.

Whereas BDC of some hydrocarbon molecules were so constructed and used to predict BR for various processes [1] we aim at continuing those studies on CnHmq⁺ species with larger m and n (n≤5, m≤4, q≤2) and, in a longer term, on nitrogenated species. BR of processes

derived from the BDC will be included in the international astrochemical database KIDA (http://kida obs.u-bordeaux1.fr) [3]. The impact of so-extracted BR in some astrophysical environments (dark clouds and photo-dissociation regions) will be presented and discussed.

<figure><img src="image_4.png" /><figcaption>**Figure 1** Breakdown curves for the C₇ cluster. Upper panel: theoretical M3C calculations. Lower panel: semi-empirical model.</figcaption></figure>

References

[1] M.Chabot et al 2013 The Astrophysical Journal 771, 90

[2] S.Diaz-Tendero et al 2005 Phy.ReV.A 71, 033202 ; N.F.Aguirre et al, this conference

[3] V.Wakelam et al 2012 The Astrophysical Journal Suppl. Series 199, 21; V.Wakelam et al 2015 The Astrophysical Journal Suppl. Series, in press.

<figure><img src="image_5.png" /></figure>

<footnote n="1">¹E-mail: chabot@ipno.in2p3.fr</footnote>