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.

该重大研究仪器 (MRI) 奖项支持霍华德大学（一所历史悠久的黑人大学 (HBCU)）购买双源单晶 X 射线衍射仪。这种能力振兴了霍华德大学的基础材料和催化研究，提供了应用机会。将单晶 X 射线衍射 (SC-XRD) 分析的优势扩展到液体和无定形固体等非晶态系统、化学战剂的分解、分析物检测、能量存储、化石能源转换、分子开关和内存存储是可用于确定分子结构的最强大的技术之一，通过将聚焦的 X 射线束照射到晶体上，人们可以确定原子的结构。原子和分子排列的知识可以帮助我们更好地理解分子的功能，最终设计出新材料。生物体如何运作，并开发新的该仪器产生的 X 射线束的强度可以快速分析具有挑战性的样品，并增强了中大西洋地区的研究能力。这些活动为学员提供了使用美国国家实验室先进设施的基础，激励少数族裔追求化学和晶体学，从而进一步促进国家学术、政府和工业劳动力的多元化。单晶 X 射线衍射仪具有带多层光学器件的双微焦点 Mo 和 Cu 源、在无快门数据采集模式下运行的像素阵列探测器以及用于在 80–400 K 范围内收集数据的温度控制系统。 - 源配置可快速收集高质量衍射数据，以对微晶和粉末样品进行详细分析。高通量单色 X 射线可对以下物质进行分析。受益于新仪器的项目涉及以下研究：（1）新型金属有机框架（MOF）作为预制晶体基质，用于通过“非晶体化合物进行分子结构阐明/机理研究”。 (2) 碳硼烷基配体设计，用于催化化学战剂 (CWA) 分解等应用， (3) 各向异性纳米粒子复合材料合成，用于通过表面增强拉曼光谱检测分析物，(4) 嵌段共聚物强度，用于介电储能应用，(5) 配体合成，用于通过大气生成氧化铁（II）核壳微粒用于化石能源转换过程的压力金属有机化学气相沉积（AP-MOCVD），（6）研究用于开关和存储器存储的自旋交叉配合物，以及（7）设计该奖项反映了 NSF 的法定使命，并通过使用基金会的智力价值和更广泛的影响审查标准进行评估，被认为值得支持。