MRI: Acquisition of an X-Ray Diffractometer at Columbia University For Use in Research and Education

凭借重大研究仪器（MRI）奖，哥伦比亚大学化学系将获得一台单晶X射线衍射仪。该衍射仪是一个CCD 3 kW密封管系统，并包括一个低温装置。它将用于以下研究领域：（i）分析金属硼烷化合物中的逆向键合，（ii）模拟加氢脱硫催化剂的化合物的结构表征，（iii）分析烯氨基甲酸酯的光氧化过程中形成二氧杂环丁烷的非对映选择性，（iv）有机合成中的C-H键官能化，（v）合成，自组装，和晶体学的有机电子材料，和（vi）过渡金属催化的有机底物的离子氢化的机制。X射线衍射仪可以确定准确和精确的键距和原子之间的角度在一个分子。 在分析衍射图案时，研究人员基本上绘制出分子的三维结构，以及分子相对于相邻分子的空间排列。 通过分析衍射图可以全面描述固体材料的组成。 这些设备将用于教学和研究。本科生将从仪器中受益，并确定他们目前正在研究的化合物的结构。

With a Major Research Instrumentation (MRI) award, the Department of Chemistry at Columbia University will acquire a single crystal X-ray diffractometer. This diffractometer is a CCD 3kW sealed tube system and includes a low temperature device. It will be employed in the following research areas: (i) analysis of retrodative bonding in metal borane compounds, (ii) structural characterization of compounds that mimic hydrodesulfurization catalysts, (iii) analysis of the diasteroselectivity in the formation of dioxetanes during the photooxygenation of enecarbamates, (iv) C-H bond functionalization in organic synthesis, (v) synthesis, self-assembly, and crystallography of organic electronic materials, and (vi) mechanisms of transition metal catalyzed ionic hydrogenation of organic substrates.The X-ray diffractometer allows the determination of accurate and precise bond distances and angles between atoms in a molecule. Upon analysis of the diffraction pattern, an investigator essentially maps out the three dimensional structure of a molecule, and the spatial arrangement of the molecule relative to the neighboring molecules. The composition of a solid material is fully described by analyzing the diffraction pattern. This equipment will be used in teaching and research. Undergraduate students will benefit from the instrument, and determine the structures of compounds that they are currently investigating in their research.