Theory of Gas Phase Scattering and Reactivity for Astrochemistry

TL;DR

This paper reviews the current state and challenges of theoretical gas phase scattering and reactivity models in astrochemistry, emphasizing the need for advanced frameworks to understand molecular kinetics in astrophysical gases.

Contribution

It provides a comprehensive overview of existing theories, identifies gaps, and suggests future directions for developing more effective models of gas phase reactions in space environments.

Findings

Current theories are limited in addressing astrochemical conditions.

Experimental efforts outpace theoretical developments.

Proposed pathways aim to improve modeling accuracy.

Abstract

Because of the very peculiar conditions of chemistry in many astrophysical gases (low densities, mostly low temperatures, kinetics-dominated chemical evolution), great efforts have been devoted to study molecular signatures and chemical evolution. While experiments are being performed in many laboratories, it appears that the efforts directed towards theoretical works are not as strong. This report deals with the present status of chemical physics/physical chemistry theory, for the qualitative and quantitative understanding of kinetics of molecular scattering, being it reactive or inelastic. By gathering several types of expertise, from applied mathematics to physical chemistry, dialog is made possible, as a step towards new and more adapted theoretical frameworks, capable of meeting the theoretical, methodological and numerical challenges of kinetics-dominated gas phase chemistry in astrophysical environments. A state of the art panorama is presented, alongside present-day strengths and shortcomings. However, coverage is not complete, being limited in this report to actual attendance of the workshop. Some paths towards relevant progress are proposed.