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

哥伦比亚大学化学系将获得一项主要研究仪器（MRI）奖，获得一台单晶x射线衍射仪。该衍射仪是一个CCD 3kW密封管系统，包括一个低温装置。它将用于以下研究领域：(1)金属硼烷类化合物的逆行键分析，(2)模拟加氢脱硫催化剂的化合物结构表征，(3)苯乙酯光氧化过程中形成二氧烷的非星形选择性分析，(4)有机合成中的C-H键功能化，(5)有机电子材料的合成、自组装和晶体学，以及(6)过渡金属催化有机底物离子加氢的机理。x射线衍射仪可以精确测定分子中原子之间的键距和角度。通过对衍射图样的分析，研究人员基本上绘制出了分子的三维结构，以及分子相对于邻近分子的空间排列。通过分析衍射图样，可以充分地描述固体材料的组成。这台设备将用于教学和研究。本科生将受益于该仪器，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.