Acquisition of a Single-Crystal X-ray Diffractometer

凭借化学研究仪器和设施：多用户（CRIF：MU）计划的这一奖项，来自特拉华州大学的Klaus Theopold教授及其同事Joseph Fox和Charles Riordan将获得一台配备变温功能、CCD检测器和钼源的单晶X射线衍射仪。该奖项将加强各级的研究培训和教育，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）镍络合物的分子氧活化，（c）基于金属salens的不对称催化剂，（d）镧系元素基硅化物和锗化物的合成和结构表征，和（e）使用过渡金属催化。X射线衍射仪允许精确和精确地测量分子的全部三维结构，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精确信息。这里描述的研究将影响许多领域，包括有机和无机化学，材料化学和生物化学。该仪器将成为教学和研究的一个组成部分，并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、哈弗福德学院和韦厄尔大学的研究人员和学生的合作。

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.