High Intensity High Sensitivity X-ray Diffaction

X射线衍射是表征分子结构的首选方法。最好的数据是从分子的单晶中获得的。现代化学正在产生越来越精细、越来越大、越来越复杂的分子，这给X射线衍射带来了重大问题。晶体往往比简单分子小，并且由于分子结构中的无序和缺陷，衍射可能较弱，因此通过粉末X射线衍射进行结构分析和解决方案现在变得至关重要。为了解决这个问题，科学家们一直在使用从同步加速器源获得的非常强的X射线辐射。这需要将样品运送到中央设施，由于在英国只有一个这样合适的同步加速器，因此访问不可避免地非常有限。然而，最近非常高强度的X射线源已经变得可用，可以在大学实验室中使用。同样重要的是，探测器技术的发展意味着可以从给定强度的X射线源获得更多的信息。这项建议是购买最先进的X射线源和探测器系统的组合，从而提供一个仪器，将竞争对手的性能同步加速器和在欧洲是独一无二的。这将使我们能够追求世界领先的科学领域，如分子机器，金属有机框架材料的基板存储，分离和转换，磁性材料，有机化学和催化。还将利用高强度辐射研究诸如镎和钚等放射性元素的化学性质;在一个中央设施中不可能进行这种研究。

X-ray diffraction is the method of choice for characterisation of the structure of molecules. The best data are obtained from single crystals of the molecules. Modern chemistry is producing molecules that are ever more elaborate, larger and more complex, and this creates significant problems for X-ray diffraction. Crystals tend to be smaller than for simpler molecules, and diffraction can be weaker due to disorder and defects in the molecular structure, and thus structure analysis and solution by powder X-ray diffraction is now becoming essential. To deal with this problem scientists have been using very intense X-radiation obtained from synchrotron sources. This requires transport of samples to a Central Facility, and since there is only one such suitable synchrotron in the UK access is inevitably very limited. However, very recently very high intensity X-ray sources have become available that can be used in a university laboratory. Equally important, developments in detector technology mean that more information can be obtained from an X-ray source of a given intensity. This proposal is to purchase the most up-to-date combination of X-ray source and detector system, thus providing an instrument that will rival the performance of synchrotrons and be unique in Europe. This will allow us to pursue world-leading science in areas such as molecular machines, metal-organic framework materials for substrate storage, separation and conversion, magnetic materials, organic chemistry and catalysis. The chemistry of radioactive elements such as neptunium and plutonium using high intensity radiation will also be investigated; such studies are impossible at a central facility.