Electron driven chemistry in the interstellar medium

Project Summary

The project will combine computational chemistry and gas-phase spectroscopy to probe electron driven chemistry of astrochemically relevant species in the interstellar medium (ISM). Polycyclic aromatic hydrocarbons (PAHs) are purported to be the largest charge carrier in the ISM, here we propose to use computational chemistry to model the intrinsic electronic structure and dynamics alongside spectroscopy.

Historically research has hinged around an understanding of neutrals and cations in the ISM, despite the prevalence of free electrons and the redox chemistry that is proposed to drive the formation of molecules. Here we propose to probe electron attachment and detachment to hetero-PAHs, developing new computational protocols and benchmarking against electronic and vibrational spectra.

The synergy between theory and experiment allows an unambiguous understanding of the fundamental chemistry, critical to answering several questions of societal interest.