Excitation and reactivity of molecules in astrochemistry

More than two hundred molecular species have been detected in space through their ro-vibrational spectra, which can be used to gain information not only about the composition and the physical conditions of various astronomical environments but also about the chemistry at work. The current development of a new generation of telescopes will provide in the coming years vast quantities of data, and the study of molecular collisions is paramount to guarantee their analysis.With this project we aim at improving the understanding of the role of molecular collisions in various astronomical environments, from the interstellar medium to planetary systems. To this end, we will use and develop quantum-mechanical and semi-classical theoretical methods based on accurate ab initio potential energy surfaces to obtain rate coefficients, and evaluate their impact on current astrochemical models.

Keywords:Molecular collisions, Interstellar medium, Comets

Disciplines:Astrochemistry, Quantum chemistry, Reaction kinetics and dynamics