Innovative New Strategies in Generating High-impact Chemical Transformations

forthcoming

Earth's growing population puts immense pressure on ecosystems due to increasing demands for natural resources, which are transformed into materials or energy for human use. Chemical catalysis is our primary tool for converting molecules, and advancements over the last century have made these processes more sustainable. While catalysis holds promise for addressing the urgent need for efficient, sustainable resource conversion, current discovery and optimization methods are too slow to meet global demands. The INSIGHT project, a collaboration between a synthetic chemist, mass spectrometry expert, and theoretical chemist, aims to accelerate this process. We are developing a workflow that rapidly generates knowledge in catalysis. Building on our discovery of adaptive dynamic catalysis, where the physical state of a metal ion is maintained in its active form by external stimuli (light or electrons), we integrate this approach with flow mass spectrometry. This enables us to explore an unprecedented number of parameter permutations, identify successful reactions, and gather kinetic data, which will inform theoretical models and provide deep insights into catalytic systems. Our project unfolds in three stages: First, we refine mass spectrometry techniques, generate data, and build models using well-established chemistry for cross-coupling carbon-halogen bonds. Next, we apply our discovery workflow to the underexplored area of carbon-oxygen bond activation, which holds significant potential for sustainable catalysis. Finally, we demonstrate the power of our method by tackling one of chemistry’s greatest challenges—carbon-carbon bond activation. By exploring a much larger chemical space for this transformation and using model-based knowledge generation, we aim to uncover innovative catalytic solutions that address some of the world’s most pressing resource challenges. This accelerated approach may revolutionize chemical catalysis, offering sustainable solutions.