The X-ray diffraction facility hosts three diffractometers, one single crystal X-ray diffractometer and two diffractometers for wide angle scattering (powder) diffraction. Our latest instrument can also offer SAXS analysis which is ideal for nanoparticle and polymer characterisation. Single crystal diffraction is used for the complete structure determination of molecular compounds such as pharmaceutical APIs, new catalytic compounds and MOFs.
Powder Diffraction / Wide Angle Scattering / Small Angle Scattering
Powder diffraction / wide angle scattering enables us to look at the bulk of a sample. We also use PXRD or for polycrystalline and polymeric materials.
We are able to determine the phases and structures of new solid-state materials that may underpin future energy technologies as well as catalytic materials for decarbonisation processes.
Our latest diffractometer (Malvern Panalytical Empyrean), installed in July 2021, is capable of collecting both small and wide-angle scattering (SAXS and WAXS) as well as PXRD data in both reflection and transmission mode. There is flexibility in sample mounting (standard flat plate, capillaries) for a range of measurements such as, reflectivity, grazing incidence XRD, stress and texture measurements as well as standard PXRD in Bragg- Brentano mode. The samples always lie flat whilst the source moves and the sample changer is configured with 30 positions. Samples can be liquids or solids (e.g. thin films or powders). SAXS is particularly useful for polymers and nanomaterials characterisation.
We also have a Bruker D8 Advance diffractometer featuring a Ge monochromator to collect wide angle scattering data (standard PXRD) on polycrystalline materials in reflectance mode.
Single crystal diffraction
Our Bruker D8 Venture, installed in April 2019 is a single crystal X-ray diffractometer with a Photon III detector enabling us to obtain the complete three dimensional structure of a molecular compound, including its absolute configuration in most cases.
Our Bruker dual source D8 Venture has a IMuS3 copper microfocus-source, perfect for weakly diffracting, twinned organic compounds and for absolute structure determination. Our molybdenum sealed tube source is ideal for heavily absorbing materials. We routinely collect data at 100K with an Oxford Cryostream 800 but may collect at room temperature when required.