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Collisional excitation of interstellar molecules: towards reactive systems

Project description

Quantum approaches may shed light on creation of stars, planets and even life forms

To the naked eye, the vast expanses between the stars in the Milky Way appear to be empty. Spectral data from telescopes reveal the opposite. The atoms, molecules, ions and electrons in the interstellar medium are constantly in motion and collisions among them can shed light on past and future formation of stars, planets and even life forms. Currently, very little is known about reactive collisions, in which a chemical reaction occurs due to the presence of unpaired electrons in one of the species. COLLEXISM is applying new approaches in quantum mechanics to study them. Scientists plan to extract unprecedented information regarding reactive species and collisions from spectral data, opening a new window on our cosmos.

Objective

Accurate determination of physical conditions of interstellar molecular clouds is a crucial step to better understand the life cycle of the interstellar matter and particularly the formation of stars and planets as well as the synthesis of organic molecules that may lead to emergence of life in the universe. A key parameter for the determination of these conditions from interstellar spectra is the calculation of accurate collisional rate coefficients of interstellar molecules with the most abundant species (H, He, H2 and e-). Whereas the knowledge of collisional processes has reached a certain level of maturity for collisions involving non-reactive molecules, very few reliable data exist for collisions involving reactive radicals and ions. The computation of such data is a real challenge since inelastic and reactive processes compete during collisions. In this project, we plan to overcome this complex problem and to provide collisional data for these radicals and ions in order to derive as much information as possible from the molecular spectra collected by current telescopes. As it is hardly possible to consider both collisional and reactive processes simultaneously, we will set up a new methodology based on quantum approach that allows obtaining accurate data. We will focus on molecular hydrides that are good candidates because of both their astrophysical importance and their quantum accessibility. We will carry out the determination of interaction potentials using quantum chemistry ab initio methods while the treatment of the dynamics of the nuclei will primarily be done using quantum time-independent reactive and non-reactive approaches. When exact quantum calculations will not be usable, innovative statistical quantum mechanical methods will also be explored. The new data will then be used in radiative transfer models and the predictions will be finally compared to observations in order to derive the abundances of reactive radicals with unprecedented accuracy.

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Topic(s)

Funding Scheme

ERC-COG - Consolidator Grant

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Call for proposal

(opens in new window) ERC-2018-COG

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Host institution

UNIVERSITE DE RENNES
Net EU contribution
€ 1 561 804,34
Address
263 AVENUE DU GENERAL LECLERC
35042 Rennes
France
Region
Bretagne Bretagne Ille-et-Vilaine
Activity type
Higher or Secondary Education Establishments
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Total cost
€ 1 561 804,34

Beneficiaries (2)