MRI: Acquisition of a Single Crystal X-Ray Diffractometer for Research and Education with Regional Impact

该奖项由主要研究仪器和化学研究仪器计划共同支持。匹兹堡大学正在购买一台配备Cu和Mo X射线源的双源单晶衍射仪，一台增强型探测器和一台低温设备，以支持Raul埃尔南德斯Sanchez教授和同事Nathaniel Rosi的研究。一般来说，X射线衍射仪允许准确和精确地测量分子的完整三维结构，包括键距和角度，并提供关于分子相对于相邻分子的空间排列的准确信息。这里描述的研究影响许多领域，包括有机，无机，有机金属化学，催化和生物化学。该仪器是该机构化学和生物化学本科生和研究生教学、研究和研究培训的组成部分。该奖项旨在加强各级的研究和教育。该仪器用于研究和表征许多不同的化学物质和材料。该研究包括开发共轭管状物质，大环呋喃基结构和共轭梯型杂并苯化合物，阐明肽和蛋白质结构，分析具有二齿和三齿支架的Cu络合物，设计和合成用于H2/CO2分离的多组分MOFs，设计能够进行具有挑战性的化学转化的新型金属簇，利用纳米簇催化剂中的表面核-配体界面，精确确定与Cr、Mn、Fe、Co、Ni和Cu的多核簇小分子活化相关的中间体和产物的结构，有机分子开发：该奖项反映了NSF的法定使命，并通过使用基金会的知识价值和更广泛的影响审查标准。

This award is jointly supported by the Major Research Instrumentation and the Chemistry Research Instrumentation Programs. The University of Pittsburgh is acquiring a dual-source single crystal diffractometer equipped with Cu and Mo X-ray sources, an enhanced detector, and a cryogenic device to support the research of Professor Raul Hernandez Sanchez and colleague Nathaniel Rosi. In general, an X-ray diffractometer allows accurate and precise measurements of the full three-dimensional structure of a molecule, including bond distances and angles, and provides accurate information about the spatial arrangement of a molecule relative to neighboring molecules. The studies described here impact many areas, including organic, inorganic, organometallic chemistry, catalysis, and biochemistry. This instrument is an integral part of teaching as well as research and research training of undergraduate and graduate students in chemistry and biochemistry at this institution. The award is aimed at enhancing research and education at all levels. The instrument is used to study and characterize a number of different chemical species and materials. The research enabled includes the development of conjugated tubular species, macrocyclic furan based structures, and conjugated ladder-type heteroacene compounds, the elucidation of peptide and protein structures, the analysis of Cu complexes bearing bidentate and tridentate scaffolds, the design and synthesis of multicomponent MOFs for H2/CO2 separations, the engineering of novel metal clusters capable of performing challenging chemical transformations, harnessing surface core-ligand interfaces in nanocluster catalysts, precisely determine the structure of intermediates and products relevant in the activation of small molecules at polynuclear clusters of Cr, Mn, Fe, Co, Ni, and Cu, organic molecule development: from fundamental transformations.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.