Single crystal diffractometer

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Single-crystal X-ray diffraction is one of the most powerful analytical methods for the structure elucidation of organic molecules. This valuable technique provides direct information on the types of atoms, their linkage and spatial arrangement in molecules. The characterization of new and structurally complex chemicals is often not possible without the use of modern X-ray diffraction methods. The Institute of Organic Chemistry (IOC) at RWTH operates a 14-year-old diffractometer, which is, due to recurring technical issues and defects, not able to support the research activities of the researchers working in the IOC. The diffractometer requested in this application will replace the old one and provide modern X-ray analytical facilities which are vital to assist the research conducted in the IOC. This device will support all IOC research groups in advancing their cutting-edge research programs and continue the work currently funded by, for example, the DFG, the Volkswagen Foundation and the ERC Horizon 2020 Framework. The research work conducted in the IOC is very diverse, spanning a wide variety of directions, which raises different analytical needs. The analysis of air and temperature sensitive organometallic species and supramolecular aggregates as well as the determination of the absolute configuration of complex chiral molecules are all aspects that can often be addressed only using modern X-ray diffraction techniques. In this application, we are requesting a single-crystal X-ray diffractometer equipped with a double copper and molybdenum radiation sources and a temperature control unit. The copper-radiation system will be essential for the analysis of chiral organic compounds consisting only of light atoms (e.g. C, H, O, N) as it offers direct access to the correct stereochemical configuration without having to resort to additional chemical modifications (e.g. derivatization to form diastereomers). This technique will also enable the analysis of poorly or weakly scattering crystals as well as crystals with large unit cells. The molybdenum source will also be crucial as it enables fast measurements required for the analysis of sensitive organometallic complexes and chiral organic compounds containing heavy atoms. Since many organic compounds are thermally labile, it is crucial to be able to run these analyses at low temperature. This means that further technical requirements need to be considered to address all the IOC’s analytical needs. In summary, with this application we request a powerful and easy to maintain 4-circle single-crystal diffractometer equipped with a modern pixel detector, two microfocus sources, a cooling unit and a user-friendly software. This instrument will be a strategic addition to the IOC core facilities and will allow all research groups to continue their work in a globally competitive environment equipped with cutting-edge technology.