Acquisition of a Single-Crystal X-ray Diffractometer

有了化学研究仪器和设施：多用户(CRIF：MU)计划颁发的这一奖项，来自特拉华大学的Klaus Theopold教授及其同事Joseph Fox和Charles Riordan将获得配备可变温度功能的单晶X射线衍射仪、CCD探测器和钼源。该奖项将加强各个层面的研究培训和教育，特别是在以下研究领域：(A)氟烯烃聚合催化剂的计算指导设计，(B)镍络合物的氧气活化，(C)基于金属盐的不对称催化剂，(D)稀土基硅化物和锗的合成和结构表征，以及(E)过渡金属催化剂的使用。X射线衍射仪可以准确和精确地测量分子的全部三维结构，包括键长和角度，并提供关于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，包括有机化学和无机化学、材料化学和生物化学。该仪器将是教学和研究不可或缺的一部分，也将用于与北卡罗来纳大学夏洛特分校、夏威夷大学、詹姆斯·麦迪逊大学、葛底斯堡学院、哈弗福德学院和威德纳大学的研究人员和学生合作。

With this award from the Chemistry Research Instrumentation and Facilities: Multi-user (CRIF:MU) program, Professor Klaus Theopold and colleagues Joseph Fox and Charles Riordan from University of Delaware will acquire a single-crystal X-ray diffractometer equipped with variable temperature capabilities, a CCD detector and a molybdenum source. The award will enhance research training and education at all levels, especially in areas of study such as (a) computationally guided design of catalysts for fluoroolefin polymerization, (b) dioxygen activation with nickel complexes, (c) asymmetric catalysts based on metal-salens, (d) synthesis and structural characterization of lanthanide based silicides and germanides, and (e) use of transition metal catalysis.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 and biochemistry. This instrument will be an integral part of teaching as well as research and will also be used for collaborations with researchers and students at the University of North Carolina-Charlotte, the University of Hawaii, James Madison University, Gettysburg College, Haverford College and Widener University.