Speaker
Description
Understanding how complex organic molecules are formed in the harsh environment of the interstellar medium has long presented a significant puzzle to scientists. In molecular clouds, irradiation of ice plays a crucial role in producing complex organic molecules. In this work, we present ab-initio molecular dynamics (AIMD) simulations to model reaction taking place on ice with astronomical compositions. Specifically, we model the reactions between oxygen(1D) and CYHX on the ground and excited electronic states. We observe which organic molecules are formed and find several possible pathways along the potential energy surface for their formation. To predict relevant photochemical reaction pathways, we perform non-adiabatic ab-initio molecular dynamics and demonstrate the important role of the dynamics on the excited states by identifying secondary products that form on those surfaces. Additionally, we model the effect of the ice environment on the resulting products.
