Single crystal diffractometer

单晶X射线衍射法是解析有机分子结构的最有力的分析手段之一。这项有价值的技术提供了关于原子类型、它们在分子中的连接和空间排列的直接信息。如果没有现代X射线衍射方法的使用，新的和结构复杂的化学品的表征往往是不可能的。威斯康星大学有机化学研究所(IOC)使用的衍射仪已有14年历史，由于反复出现的技术问题和缺陷，无法支持IOC研究人员的研究活动。申请中要求的衍射仪将取代旧的，并提供对协助政府间海洋学委员会进行的研究至关重要的现代X射线分析设施。该设备将支持国际奥委会所有研究小组推进其尖端研究计划，并继续目前由DFG、大众基金会和ERC Horizon 2020框架等资助的工作。国际奥委会的研究工作非常多样化，涉及的方向很广，这就提出了不同的分析需求。对空气和温度敏感的金属有机物种和超分子聚集体的分析以及复杂手性分子的绝对构型的确定都是通常只能用现代X射线衍射技术才能解决的问题。在这一应用中，我们需要一种单晶X射线衍射仪，配备铜和钼双重辐射源和一个温度控制单元。铜辐射系统对于分析只由轻原子组成的手性有机化合物(例如C、H、O、N)将是必不可少的，因为它提供了直接获得正确的立体化学构型的途径，而不必求助于额外的化学修饰(例如，衍生化以形成非对映异构体)。这项技术还将使分析弱散射或弱散射晶体以及具有大晶胞的晶体成为可能。钼源也将是至关重要的，因为它使分析敏感的有机金属络合物和含有重原子的手性有机化合物所需的快速测量成为可能。由于许多有机化合物是热不稳定的，因此能够在低温下进行这些分析是至关重要的。这意味着需要考虑进一步的技术要求，以满足国际奥委会的所有分析需求。总之，通过这一应用，我们需要一台功能强大且易于维护的4圈单晶衍射仪，配备一个现代像素探测器、两个微焦点光源、一个冷却单元和一个用户友好的软件。这一工具将是对国际奥委会核心设施的战略性补充，并将使所有研究小组能够在配备尖端技术的全球竞争环境中继续工作。

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.