Upgrade of the Reseach / Teaching X-Ray Diffractometer at Duquesne University

在化学研究仪器(CRIF)计划的支持下，迪奎恩大学化学系将升级一台具有CCD检测和低温小分子衍射仪能力的X射线衍射仪。该设备将加强以下领域的研究：a)了解配位聚合物，特别是双金属体系的配位聚合物；b)氰基阴离子立体选择性环化反应中的环-结几何结构；c)钼酶催化的氧原子转移反应中间体的表征。X射线衍射仪可以精确和精确地测量分子的全部三维结构，包括键的距离和角度，并提供关于分子相对于邻近分子的空间排列的准确信息。这些研究将在许多领域产生影响，包括材料化学和制备更有效的催化剂。

With support from the Chemistry Research Instrumentation (CRIF) Program, the Department of Chemistry at Duquesne University will upgrade a X-ray diffractometer with CCD detection and low temperature capabilities for small molecule diffractometry. This equipment will enhance research in a number of areas including the following: a) understanding coordination polymers, particularly for bimetallic systems; b) the ring-juncture geometry in stereoselective cyclizations of nitrile anions; and c) characterization of intermediates in the oxygen-atom transfer reaction catalyzed by molybdenum enzymes. The X-ray diffractometer allows accurate and precise measurements of the full three dimensional structure of a molecule, including bond distances and angles, and it provides accurate information about the spatial arrangement of the molecule relative to the neighboring molecules. These studies will have an impact in a number of areas, including materials chemistry and the preparation of more efficient catalysts.