High Energy Single-Crystal Microdiffraction on I15 Applied to Noble-Gas Compounds

The distinction between intra- and inter-molecular interactions in compounds of the heavier p-block elements is often harder to define than in the first row, but transitions between them control properties such as non-metallic, metalloid and metallic behaviour and affect electronic structure and electrical conductivity. The aim of this project is to explore and manipulate the interface between intra- and intermolecular bonding in compounds of the noble gases xenon and krypton using pressures up to 50 GPa (half a million times atmospheric pressure).
Crystal structures will be determined on Beamline I15 at Diamond, transforming the quality of high-pressure single-crystal diffraction data available at synchrotrons. Other techniques to be used include vibrational spectroscopy and periodic density functional theory as well as specialised methods for handling highly reactive fluorine-containing compounds.