MRI: Acquisition of a High-Brilliance X-Ray Diffractometer for Fundamental Materials and Catalysis Research and Education at Howard University

MRI：霍华德大学购买高亮度 X 射线衍射仪用于基础材料和催化研究和教育

基本信息

批准号：
2117502
负责人：
Timothy Ramadhar
金额：
$ 37.87万
依托单位：
Howard University
依托单位国家：
美国
项目类别：
Standard Grant
财政年份：
2021
资助国家：
美国
起止时间：
2021-09-01 至 2024-08-31
项目状态：
已结题

来源：
https://www.nsf.gov/awardsearch/showAward?AWD_ID=2117502&HistoricalAwards=false
关键词：
MRI Acquisition Brilliance Ray Diffractometer

项目摘要

This Major Research Instrumentation (MRI) award supports the acquisition of a dual-source single-crystal x-ray diffractometer at Howard University, a Historically Black University (HBCU). This capability invigorates fundamental materials and catalysis research at Howard University, offering application opportunities in extending the benefits of single-crystal x-ray diffraction (SC-XRD) analysis to non-crystalline systems such as liquids and amorphous solids, decomposition of chemical warfare agents, analyte detection, energy storage, fossil energy conversion, molecular switches, and memory storage. SC-XRD is one of the most powerful techniques available to determine molecular structure. By shining a focused x-ray beam on a crystal, one can determine how atoms are connected in a molecule, how these atoms are spatially oriented, and how molecules are packed together in a crystal. Knowledge of atomic and molecular arrangement allows for a better understanding of how molecules function. This can ultimately lead to designing new materials, to revealing how living organisms operate, and to developing new therapeutics to alleviate human suffering. The strength of the generated x-ray beams permits rapid analysis of challenging samples. This instrument creates and fortifies existing collaborations and enhances research capability in the Mid-Atlantic region. The diffractometer also strengthens chemical education at Howard University and provides trainees a foundation to use advanced facilities at US national laboratories. These activities inspire underrepresented minorities to pursue chemistry and crystallography leading to further diversification of the national academic, governmental, and industrial workforce.The acquired high-brilliance single-crystal x-ray diffractometer features dual microfocus Mo and Cu sources with multilayer optics, a pixel array detector that operates in a shutterless data acquisition mode, and a temperature control system for data collection within a range of 80–400 K. The dual-source configuration allows for the rapid collection of high-quality diffraction data to perform detailed analyses of microcrystalline and powder samples. The high-flux monochromatic x-rays permits the analysis of weakly-diffracting microcrystals. The projects that benefit from the new instrument involves the study of: (1) novel metal-organic frameworks (MOFs) as preformed crystalline matrices for use in molecular structure elucidation / mechanistic investigations involving non-crystalline compounds through the “crystalline sponge method”, (2) carboranyl ligand design for catalysis in applications such as the decomposition of chemical warfare agents (CWA), (3) anisotropic nanoparticle composite synthesis for use in analyte detection through surface-enhanced Raman spectroscopy, (4) block copolymer strength for applications in dielectric energy storage, (5) ligand synthesis for iron(II) oxide core-shell microparticle generation through atmospheric pressure metal-organic chemical vapor deposition (AP-MOCVD) for application in fossil energy conversion processes, (6) investigation of spin crossover complexes for application in switches and memory storage, and (7) design of catalytic sequential processes to derivatize heterocyclic scaffolds for application in creating new spin crossover materials and drug-like molecules.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

这项主要的研究工具（MRI）奖支持在历史悠久的黑人大学（HBCU）霍华德大学（HBCU）霍华德大学获得双源单晶X射线衍射仪。这种能力使霍华德大学的基本材料和催化研究能力为扩展单晶X射线衍射法（SC-XRD）分析的益处，以扩展到非晶体系统，例如液体和无定形固体，化学战剂分解，化学战剂的分解，化学战剂的分解，分析检测，能源储存，能源储存，养分，养分，并储存。 SC-XRD是确定分子结构的最强大技术之一。通过在晶体上发射聚焦的X射线束，可以确定原子如何在分子中连接，这些原子的空间方向以及分子如何在晶体中堆积在一起。对原子和分子排列的了解可以更好地了解分子的功能。这最终可以导致设计新材料，揭示生物生物的运作方式，并开发新的治疗疗法以减轻人类的痛苦。生成的X射线梁的强度允许对挑战样品的快速分析。该工具创建并坚持了现有的合作，并增强了中大西洋地区的研究能力。衍射仪还加强了霍华德大学的化学教育，并为受训者提供了在美国国家实验室使用高级设施的基础。这些活动启发了代表性不足的少数群体购买化学和晶体学的启发，从而进一步多样化，导致国家学术，政府和工业劳动力的进一步多样化。获得的高爆炸性单晶体X射线X射线衍射仪具有双微孔MO和CU，并通过多层探测器的距离进行了ACETION ACTODER，该模式在封闭模式下，该模式的A A COMETION ACTORDICS和CU。 80–400 K.双源配置允许快速收集高质量的衍射数据，以对微晶和粉末样品进行详细分析。高频率单色X射线允许分析弱分解的微晶。 The projects that benefit from the new instrument involves the study of: (1) novel metal-organic frameworks (MOFs) as preformed crystalline matrixes for use in molecular structure elucidation / mechanistic investigations involving non-crystalline compounds through the “crystalline sponsor method”, (2) carbonanyl ligand design for catalysts in applications such as the decomposition of chemical warfare agents （CWA），（3）各向异性纳米颗粒复合合成合成，用于通过表面增强的拉曼光谱法在分析物检测中使用，（4）（4）在饮食能量储存中应用的共聚物强度，（5）铁（5）铁（5）铁（II）通过大气中的氧化物核酸粒子产生的ICON（II）氧化物合成（II），用于大气中的APTERICERITION COMPATIR INSPOSTIRITION COMPATIL INFOSS（AP）化学物质DEPSINION（AP）化学物质vaposition（过程，（6）研究用于在开关和存储存储中应用的旋转跨界复合物的研究，以及（7）设计催化顺序过程，以衍生杂环支架来创建新的旋转跨界材料和类似毒品的分子，以适用于NSF的法定任务，并通过评估了cr的知识，这反映了NSF的诚实，反映了诚实的支持。