Detecting the chemical limits of the Universe with microwave and synchrotron infrared spectroscopy

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This proposal outlines a unique integrative approach to exploring the limits of chemical complexity of the Universe from the benchtop to remote astronomical objects. As chemists, we are trained to recognize patterns and extrapolate our knowledge to new compounds, but we take for granted that our go-to models are heavily influenced by our picture of bonding between elements near the top of the periodic table. Through our research, we seek to address this deficiency by developing robust, predictive models for structure and bonding involving larger elements. In the next five years, my group will lay the foundation for this using our suite of modern experimental and computational tools to describe, with unprecedented detail, the interactions between carbon and heavier p-block elements in groups 15 and 16. Our research is motivated by a pressing need to harness unique structural motifs and physical properties in order to create next generation main group materials for catalysis and optoelectronics. Theme 1 investigates the factors controlling the potential energy surfaces of stable organochalcogens and phosphanes. Theme 2 explores novel bonding motifs (connectivity, bond order, structure) in short-lived intermediates frozen in collision-free jets and Theme 3 expands these studies to highly reactive gas mixtures. Many of the targeted compounds are inspired by molecules recently added to astronomy catalogs and shed light on the chemical evolution of our Universe in extreme environments. As the pace of new astronomical detections has accelerated in recent years, the demand for accurate spectroscopic data to support new discoveries has exploded. The van Wijngaarden group has the tools and expertise to address this urgent need. Our integrative research design exploits the synergy between modern computational and spectroscopic tools in the microwave (MW) and far infrared (FIR) regions. This allows us to probe changing chemical environments with exceptional accuracy and precision to elucidate the factors that balance molecular structure and reactivity. Our unique setup involves state-of-the-art, custom-built MW spectrometers to unravel rotational signatures from rich conformational and reaction mixtures. A central feature of this approach is that it stabilizes transient species in ultracold jets allowing us to take high resolution spectral snapshots of chemistry that cannot be isolated on the benchtop. These studies guide our investigation of FIR vibrational fingerprints of short-lived molecules at the Canadian Light Source (CLS) synchrotron, Canada's largest national science facility, using a custom setup designed and built by my team to mimic harsh reaction conditions. Through impactful research contributions to this program, trainees will develop advanced expertise in instrument design and computational modelling, interact with researchers in diverse fields from materials science to astronomy, and be poised to lead future global scientific quests.