MRI: Acquisition of a Diffractometer for Research in Energy and Materials

根据主要研究仪器（MRI）和化学研究仪器和设施（CRIF）项目的这份合同，加州大学戴维斯分校将获得一台带有敏感探测器的x射线衍射仪。一般来说，x射线衍射仪可以精确测量分子的完整三维结构，包括键距和角度，并提供有关分子相对于邻近分子的空间排列的准确信息。这里描述的研究将影响许多领域，包括有机和无机化学，材料化学，能源研究和生物化学。该仪器将成为化学研究生和本科生以及博士后的教学、研究和研究训练的一个组成部分。将建立一个外展中心，使教育和研究机构能够以最低的成本收集衍射数据并提供晶体结构确定方面的帮助。每年的晶体学研讨会将用于教育潜在用户，并通过用户反馈评估中心的有效性。该奖项旨在加强各级的研究和教育，特别是在以下领域：(a)控制金属配合物的电子结构，使催化转化利用地球丰富的金属配合物与不成对的电子将二氧化碳和氮转化为有用的化学物质；(b)研究富勒烯化学和富勒烯分子内和分子间键的相互作用；(c)了解具有强自旋轨道耦合和高零场分裂的低配位过渡金属配合物的磁性行为；(d)开发基于层状和链状铁硒结构的超导体和磁性材料；(e)设计能够利用复杂无机固体将废热转化为有用电能的热电材料；(f)研究凹形、半球形或完全封闭壳体、自组织分子系统和电活性聚合物掺杂剂的化学性质。

With this award from the Major Research Instrumentation (MRI) and Chemistry Research Instrumentation and Facilities (CRIF) programs, the University of California Davis will acquire an X-ray diffractometer with a sensitive detector. 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 will impact a number of areas, including organic and inorganic chemistry, materials chemistry, energy research and biochemistry. This instrument will be an integral part of teaching as well as research and research training of chemistry graduate and undergraduate students as well as postdoctoral fellows. An outreach center will be created to enable education and research institutions to collect diffraction data and provide help with crystal structure determination, at minimal cost. Annual crystallography workshops will be used to educate potential users and assess the effectiveness of the Center through user feedback.The award is aimed at enhancing research and education at all levels, especially in areas such as (a) controlling the electronic structures of metal complexes to enable catalytic transformations utilizing earth abundant metal complexes with unpaired electrons to convert carbon dioxide and nitrogen into useful chemicals; (b) investigating fullerene chemistry and intra- and inter-molecular bonding interactions in fullerenes; (c) understanding the magnetic behavior of low coordinate transition metal complexes that can exhibit strong spin-orbit coupling and high zero-field splitting; (d) developing superconductors and magnetic materials based on layered and chained Fe-Se structures; (e) designing thermoelectric materials capable of converting waste heat into useful electric energy utilizing complex inorganic solids; and (f) studying the chemistry of concave, hemispherical, or completely closed shell bodies, self-organized molecular systems, and dopants for electroactive polymers.