Insights from Nuclear Magnetic Resonance into Bonding Interactions in Solids

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Nuclear magnetic resonance (NMR) spectroscopy is the premier non-destructive analytical method for studying all forms of matter. Our research program is focussed on the development and application of NMR spectroscopic methods with an emphasis on providing insights into structure and bonding in solids. We also apply computational chemistry to complement our experimental results.******We aim to make novel innovative contributions to several areas of broad interest. Three specific directions to be addressed are:******(i) A unified description of non-covalent interactions in terms of NMR parameters. We will systematically explore a broad range of non-covalent interactions with the goal of providing a unified understanding of the relationship between the bonding environment and strength, and the observed NMR parameters. For example, the tetrel bond, in which group 14 elements such as carbon act as electrophiles, has recently been highlighted in the context of understanding the SN2 nucleophilic substitution reaction. We will prepare and characterize via multinuclear solid-state magnetic resonance spectroscopy the electrophiles and nucleophiles involved in non-covalent bonds formed between elements from across the periodic table. This work will provide highly unique experimental insights into non-covalent bonds which are key to structure, bonding, and reactivity in materials, supramolecular chemistry, and biomolecules.******(ii) New insights into metal-metal bonding via NMR spectroscopy. We will develop and apply multinuclear and multidimensional NMR methods to directly probe metal-metal bonding interactions in solids. This has long represented a daunting challenge because of the strong quadrupolar nature of many metal isotopes of interest. This work will provide novel insight into the nature of metal-metal bonding and will also address metal-metal interactions in metal-organic frameworks (MOFs) of importance to catalysis and the petrochemical industry. This work has strong potential to lead to a sensitive and unique probe of symmetry and adsorption in MOFs, with diverse applications across disciplines.******(iii) A final novel research direction consists of the development and application of a parahydrogen flow system to hyperpolarize low-receptivity nuclei in solids. This high-risk work promises to take our studies of bonding interactions to the next level, rendering them applicable to the low-cost study of `real' samples such as those found on surfaces or in heterogeneous catalysts.**