Critical Acquisition of Modern, Functional Single-crystal X-ray Diffractometer Detector

单晶x射线衍射，从字面上提供了分子固态结构的“球棒”图，可能是无机化学家最重要的表征工具，对有机和材料化学家来说非常有价值。SFU化学系有一个（严重超额认购）单晶x射线衍射仪配备了一个16年的探测器，它不再有效地工作，无法维修，因为它太过时了，无法得到制造商的支持。因此，SFU对这一关键研究基础设施的日常使用已经减少。因此，本提案寻求资金，为SFU的单晶x射线衍射仪紧急购置新的现代探测器，这将极大地影响SFU许多研究人员的研究计划，通过恢复对这一核心基础设施至关重要的常规访问。此外，所要求的现代下一代探测器比原来的基础设施更快、更敏感。因此，除了恢复常规访问外，研究人员将拥有新的能力：(1)对以前无法获得的非常小的晶体进行测量，从而获得对其材料结构和特性的新理解；(2)将能够对在反应或相变过程中迅速变化的固态结构进行实时、原位测量。增加对材料如何在分子水平上改变其结构以响应刺激或温度/压力变化的理解。******此次收购将支持SFU化学系的广泛研究项目，包括用于有毒气体传感器和光学元件等材料应用的金属配位聚合物（Leznoff），用于传感器、致动器、声纳和非易失性存储器件（Ye）的钙钛矿晶体，用于电化学能量转换的新型阴离子传输膜，例如燃料电池（Holdcroft），用于一系列分子转化的双金属氧化催化剂和基于mof的挥发性有机化合物（Storr），生物活性金属配合物（Walsby）和药用重要有机分子（Britton）传感器。这些研究领域中的每一个都迫切需要常规的x射线结构测定，并且将极大地受益于从小的、弱衍射晶体中获得结构和观察原位快速结构变化的新能力。****** SFU化学系的相当一部分研究人员将受到此次升级的影响：共同申请者中有超过50名研究人员，他们通常需要使用拟议的最先进的x射线衍射系统。学生研究人员将接受宝贵的实践培训，使用单晶（以及适当的粉末）x射线衍射确定分子结构，以及安全使用x射线基础设施的广泛培训

Single-crystal X-ray diffraction, which literally provides a "ball-and-stick" picture of the solid-state structure of molecules, is perhaps the most critical characterization tool for inorganic chemists and a very valuable one for organic and materials chemists. The SFU Department of Chemistry has one (heavily oversubscribed) single-crystal X-ray diffractometer equipped with a 16-year old detector, which is no longer effectively functioning, and cannot be repaired since it is too obsolete to be supported by the manufacturer. As a result, routine use of this critical research infrastructure has been curtailed at SFU. Thus, this proposal seeks funding for the vital, urgent acquisition of a new, modern detector for SFU's single-crystal X-ray diffractometer, which will greatly impact the research programs of many researchers at SFU by rejuvenating vitally important routine access to this core infrastructure. In addition, the requested modern, next-generation detector is much faster and more sensitive than the original infrastructure. As a result, as well as restoring routine access, researchers will have the new ability to (1) make measurements on very small crystals that were previously unobtainable, thereby gaining new understanding of the structures and properties of their materials, and (2) will be able to make realtime, in situ measurements of solid-state structures that alter rapidly during a reaction or phase change, increasing understanding of how materials change their structures at the molecular level in response to stimuli or temperature/pressure changes. ******This acquisition will support a wide range of research programs in SFU's chemistry department, including metal-coordination polymers for materials applications such as toxic gas sensors and optical components (Leznoff), perovskite crystals for sensors, actuators, sonar and non-volatile memory devices (Ye), new anion-transport membranes for electrochemical energy conversion, e.g. in fuel cells (Holdcroft), bimetallic oxidation catalysts for a range of molecular transformations and MOF-based sensors for volatile organic compounds (Storr), biologically activated metal complexes (Walsby) and medicinally important organic molecules (Britton). Each of these research areas critically require routine access to X-ray structure determinations and will greatly benefit from the new ability to obtain structures from small, weakly diffracting crystals and watch rapid structural changes in situ. ******A substantial portion of the researchers in the SFU Department of Chemistry will be impacted by this upgrade: there are over 50 researchers in the groups of the co-applicants, who routinely require access to the proposed state-of-the-art X-ray diffraction system. Student researchers will receive valuable hands-on training in determining molecular structures using single-crystal (and where appropriate, powder) X-ray diffraction, as well as extensive training in the safe use of X-ray infrastructure.**