MRI: Acquisition of Single-Crystal X-ray Diffractometer

在主要研究仪器(MRI)计划的支持下，布兰代斯大学化学系将获得一台具有CCD探测器和低温能力的单晶X射线衍射仪。通过对详细的结构化学数据的仔细分析，由于新仪器的能力增强，五个主要用户将：(I)解决作为碳-碳和碳-杂原子偶联反应和碳-氢键活化催化剂的有机金属化合物的配体设计和催化行为之间的关系；(Ii)通过实时测定中间体和最终产物的结构和立体化学来加速全合成和方法开发；(Iii)探索在实用和有效的有机催化中对映体选择性的来源；利用固体作为合成介质促进反应产物和立体化学的控制。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，特别是合成化学。

With support from the Major Research Instrumentation (MRI) Program, the Department of Chemistry at Brandeis University will acquire a single-crystal X-ray diffractometer with CCD detector and low temperature capability. By careful analyses of detailed structural chemical data, made possible by the enhanced capabilities of the new instrument, the five major users will: (i) address the relationship between ligand design and catalytic behavior of organometallic compounds as catalysts for carbon-carbon and carbon-heteroatom coupling reactions and carbon-hydrogen bond activation; (ii) expedite total synthesis and methods development by determination of the structure and stereochemistry of intermediates and final products in real time; (iii) explore the origin of enantioselectivity in practical and efficient organic catalysis; and (iv) promote the control of reaction products and stereochemistry using the solid state as a synthetic medium.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, especially synthetic chemistry.