Multi-user, High-Throughput Facility for Compositional Analysis of Molecules and Materials

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Establishing the elemental composition of samples is essential across all disciplines of experimental chemistry. While spectroscopic methods such as nuclear magnetic resonance (NMR) and mass spectrometry (MS) provide complementary information about connectivity, the high-sensitivity and phase-independence of elemental analysis (EA) makes it the gold standard for i) characterizing insoluble solids, ii) for samples that are unresponsive to other techniques (e.g. NMR-silent nuclei, 3-D materials), and iii) for assessing bulk purity. Since starting up in 2018, the principal applicant has established an internationally recognized program of strategic molecular design to elicit new properties from main group elements (see profile in Chem. Commun. Emerging Investigators Issue, 9 independent publications, invited book chapter, 2 conferences organized in 2 years). A key aspect of this program involves using geometric design to access fundamentally new types of materials that contain 3-D molecular cages in the back bone. Due to their all-heteroatom backbone and cage microstructure, these polymers have mobile electrons for conductivity and physical properties of rigid-rod systems, making them potentially valuable electronic and structural materials. Networks derived from such polymers behave as precursors to shape-defined metal phosphide ceramics. Characterizing these fascinating but insoluble solid-state materials requires high-frequency access to C, H, N, S, O analysis (to map 5/6 elements comprising them). Lacking this data, the principal applicant is unable to proceed, thereby forfeiting impactful science and his position as a recognized leader at a sensitive career stage. EA data is critical to this project and will provide immediately actionable insights to guide research in the moment it happens. For example, frequent assays of monomer batches are required to access high molecular weight inorganic polymers, interpret polymerization kinetics, and detect end groups. The organic residue in ceramics must also be quantified as their functional properties (e.g. conductivity) are influenced by such impurities. Besides the principal applicant, 6 additional groups (Freund, Thompson, Turculet, Stradiotto, Speed, Doucette) are critically impeded by timely access to this data as samples are either not amenable to solution methods or too sensitive to be analyzed at external facilities with unpredictable delays. This data is vital in catalysis, where impurities can mediate side-reactions, and in synthetic chemistry more broadly when salt metathesis reactions (involving NMR-silent metal halides or radicals) are involved. EA data also provides key insights in proteomics research as an unbiased evaluation of analyte recovery for proteins from biological systems. In light of the above, this joint application from 7 researchers spanning multiple career stages across 4 disciplines seeks funding for a system capable of high-throughput C, H, N, S, O analysis.