Structural insights into inorganic and bioinorganic materials through solid-state NMR spectroscopy

点击翻译按钮获取中文摘要

Our research program employs nuclear magnetic resonance (NMR) spectroscopy to study and understand the structure and properties of solid materials. NMR relies on the same principle as magnetic resonance imaging (MRI): at the hearts of atoms lie tiny magnets ('nuclear spins') which, when placed in a large external magnetic field, respond to radiofrequency pulses. By observing how the nuclear spins behave under this situation, we can learn a great deal about the molecular and electronic structure surrounding the atom. We are specifically looking at atoms in unique bonding environment in inorganic and bioinorganic solids. For example, we are developing chlorine, bromine, and iodine NMR as a probe of so-called 'halogen bonding' in small molecules and supramolecular materials. One goal is to establish a spectral fingerprint which is diagnostic of this bonding interaction in the solid state. This will help characterize new materials for which structural information is lacking. We are also developing boron solid-state NMR spectroscopy as a probe of bonding and structure in small molecules with the goal of providing insights into novel framework materials which may find environmental applications in gas storage or catalysis. A final aspect of our program looks at establishing calcium solid-state NMR as a probe of binding environments in biochemically-relevant systems. We employ quantum chemical calculations of the NMR parameters we measure in order to corroborate our experimental findings, and improve our overall understanding of the structural factors which influence the NMR observables. All aspects of our research program are characterized by (i) a fundamental research component which provides student training and which provides new physical insights, and (ii) a more challenging application-based component which we anticipate will have impact on a broader community of scientists.