Molecular Astrophysics: A Quantum Chemical Perspective on Molecular Synthesis and Destruction in Astrophysical Environments

Development of modern telescopes, remarkable advancements in experimental techniques, and powerful computer algorithms have enabled the investigation of complex molecules in space possible for the first time in human history. Using this cutting-edge science, we can better understand the origins of molecular organic components of life in space. The chemical elements first produced by nucleosynthesis at the core of stars are ejected out into the interstellar medium, are physically and chemically processed by the extreme conditions in space over millions of years and are deposited on to the surfaces of primordial planets. These stellar materials can become the building blocks of life when they find hospitable environments, e.g., in planets such as ours. I will present my research on the exploration of fundamental reactions of organic molecules that lead to the build-up of simple prebiotic molecules in various astrophysical environments such as the interstellar medium, star forming regions, protoplanetary disks, and in bodies in our solar system. I will discuss how the using the principles of quantum mechanics and with the help of powerful modern computers we explore the reactions that eventually synthesize prebiotic molecules such as sugars, amino acids, and nucleic acids, and how we predict spectra of these molecules for their potential detection using the modern telescopes such as the Atacama Large Millimeter Array or the James Webb Space Telescope. I will also discuss several bottom-up synthetic pathways, structural features, nature of bonding, reaction mechanisms, reaction kinetics, and spectroscopic properties of chemicals we explored by employing a variety of state-of-the art quantum chemical methods.