MRI: Acquisition of a Single Crystal X-ray Diffractometer for Research, Training, and Teaching

MRI：购买单晶 X 射线衍射仪用于研究、培训和教学

• 批准号: 1626549
• 负责人: Keying Ding
• 金额: $ 30万
• 依托单位: Middle Tennessee State University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2016
• 资助国家: 美国
• 起止时间: 2016-08-15 至 2019-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1626549&HistoricalAwards=false
• 关键词: MRI; Acquisition; Single; Crystal; ray

With this award from the Major Research Instrumentation Program (MRI) and support from the Chemistry Research Instrumentation Program (CRIF), Professor Kying Ding from Middle Tennessee State University and colleagues Piotr Kaszynski, Scott Handy, Tibor Koritsanszky and Anatoliy Volkov have acquired a single crystal X-ray diffractometer. In general, an X-ray diffractometer allows accurate and precise measurements of the full three-dimensional structure of a molecule, including bond distances and angles. It also provides accurate information about the spatial arrangement of a molecule relative to neighboring molecules. These studies impact a number of areas, including organic and inorganic chemistry, materials chemistry and biochemistry. This instrument is an integral part of teaching as well as research and training of undergraduate students in chemistry and biochemistry. Collaborators from regional institutions such as the universities Motlow State, Volunteer State, Nashville State, Fisk, Alabama A&M, East Tennessee State, Austin Peay, Belmont, Lipscomb, Memphis and Central Arkansas also use the instrument. The award is aimed at enhancing research and education at all levels, especially in areas such as: (a) characterizing molecular geometry in non-precious metal organometallic catalysts and intermediates, (b) confirming stereoisomers and molecular geometry in families of organic compounds, (c) determining intermolecular associations in heterocyclic stable radicals, liquid crystals and dyes, (d) incorporating high resolution charge-density data for small- and medium-sized structures into charge density calculations, (e) carrying out preliminary measurements before neutron and X-ray synchrotron diffraction studies, and (f) collecting structural data that can be used in computational predictive modeling.

在重大研究仪器计划(MRI)的这一奖项和化学研究仪器计划(CRIF)的支持下，田纳西中部州立大学的丁凯英教授及其同事Piotr Kaszynski、Scott Handy、Tibor Koritsanszky和Anatoliy Volkov获得了单晶X射线衍射仪。一般来说，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。它还提供关于一个分子相对于邻近分子的空间排列的准确信息。这些研究影响了许多领域，包括有机化学和无机化学、材料化学和生物化学。该仪器是化学和生物化学专业本科生教学、研究和培训不可或缺的一部分。来自莫特洛州立大学、志愿者州立大学、纳什维尔州立大学、菲斯克大学、阿拉巴马农工大学、东田纳西州立大学、奥斯汀佩伊大学、贝尔蒙特大学、利普科姆大学、孟菲斯大学和阿肯色州中部大学等地区机构的合作者也使用该仪器。该奖项旨在加强各级的研究和教育，特别是在下列领域：(A)表征非贵金属有机金属催化剂和中间体的分子几何结构；(B)确认有机化合物家族的立体异构体和分子几何结构；(C)确定杂环稳定自由基、液晶和染料的分子间缔合；(D)将中小型结构的高分辨率电荷密度数据纳入电荷密度计算；(E)在中子和X射线同步衍射研究之前进行初步测量；以及(F)收集可用于计算预测模拟的结构数据。

项目成果

Switching between borrowing hydrogen and acceptorless dehydrogenative coupling by base transition-metal catalysts

• DOI: 10.1016/j.tet.2021.132451
• 发表时间: 2021-09
• 期刊: Tetrahedron
• 影响因子: 2.1
• 作者: Keying Ding

Switchable Cobalt-Catalyzed α-Olefination and α-Alkylation of Nitriles with Primary Alcohols

钴催化的伯醇对腈的α-烯烃化和α-烷基化

• DOI: 10.1021/acs.orglett.1c01553
• 发表时间: 2021
• 期刊: Organic Letters
• 影响因子: 5.2
• 作者: Paudel, Keshav;Xu, Shi;Ding, Keying
• 通讯作者: Ding, Keying

Switchable Imine and Amine Synthesis Catalyzed by a Well-Defined Cobalt Complex

• DOI: 10.1021/acs.organomet.0c00727
• 发表时间: 2021-01
• 期刊: Organometallics
• 影响因子: 2.8
• 作者: K. Paudel;Shi Xu;O. Hietsoi;Bedraj Pandey;Chuka Onuh;Keying Ding