MRI: Acquisition of a Multipurpose X-Ray Diffractometer Enhancing Single-Crystal Structural Capabilities for the Midwest Region

该奖项是根据2009年美国复苏和再投资法案（公法111-5）资助的。该奖项来自主要研究仪器（MRI）项目，来自堪萨斯大学化学系的Kristin Bowman-James和同事Victor W. Day将获得一台带有高强度铜源的单晶x射线衍射仪，以支持以下研究：1)阴离子和阳离子配位化学，2)基于azulene的有机金属物种作为分子电荷传输系统的平台，3)结构，电子，4)有机钯化学在新合成方法中的应用；5)脱羧金属化和交叉偶联反应以及通过C-H功能化合成化学文库；6)铜绿假单胞菌分泌的血红素捕获血红素的机制。单晶x射线晶体学技术允许精确和精确地测定分子的完整三维结构，包括键的距离和角度，它提供了分子相对于邻近分子的空间排列的准确信息。高强度x射线源将有助于研究产生小晶体或衍射能力差的化合物。这些研究将在许多领域产生影响，从合成有机和无机化学到生物兴趣系统和材料研究。该仪器将成为教学和研究的一个组成部分。

This award is funded under the American Recovery and Reinvestment Act of 2009 (Public Law 111-5).With this award from the Major Research Instrumentation (MRI) program, Kristin Bowman-James and colleague Victor W. Day from the University of Kansas, Department of Chemistry will acquire a single crystal X-ray diffractometer with a high intensity copper source to support research in 1) anion and cation coordination chemistry, 2) azulene-based organometallic species as platforms for molecular charge transport systems, 3) studies of structural, electronic, and reactivity properties of peroxomanganese(III) complexes, 4) applications of organopalladium chemistry to new synthetic methodologies, 5) decarboxylative metalation and cross-coupling reactions and synthesis of chemical libraries via C-H functionalization, and 6) mechanism of heme capture by the hemophore secreted by pseudomonas aeruginosa.The technique of single-crystal X-ray crystallography allows accurate and precise determination of the full three dimensional structure of a molecule, including bond distances and angles, and it provides accurate information about the spatial arrangement of molecules relative to the neighboring molecules. The high intensity X-ray source will facilitate the study of compounds that produce small crystals or those that diffract poorly. These studies will have an impact in a number of areas ranging from synthetic organic and inorganic chemistry to systems of biological interest and materials research. This instrument will be an integral part of teaching as well as research.