MRI: Acquisition of an Automated Single-Crystal X-Ray Diffractometer for Research and Teaching

有了这个由化学研究仪器和设施（CRIF）计划共同资助的主要研究仪器计划的奖项，来自西弗吉尼亚大学的Kung Wang教授和同事Jeffrey Petersen，Xiaodong Shi，Jessica Hoover和Brian Popp将获得一个单晶X射线衍射仪，它将用单点检测器取代过时的衍射仪。该项目旨在加强各级的研究和教育，特别是在以下领域：（a）研究过渡金属络合物，以促进催化C-C键形成和分解交叉偶联反应，模拟能够还原CO偶联的酶系统，或开发新的非手性和手性试剂;（B）两亲性、BINOLate型和1，2，3-三唑配体体系的制备（BINOL =手性1，1 '-联萘-2，2'-二醇）;和（c）合成高度应变的多环芳族化合物，其用作显示生物活性的碳纳米管和杂芳族化合物的封端模板。射线衍射仪允许准确和精确地测量分子的完整三维结构，包括键距和角度，并提供关于分子相对于相邻分子的空间排列的准确信息。这里描述的研究将影响许多领域，包括有机和无机化学，材料化学和生物化学。该工具将成为教学以及研究和研究培训的一个组成部分。它将是该州唯一的现代衍射仪，将通过研究，教育，劳动力培训和推广积极造福社会，并增加与州外学校的历史性合作，并用于该地区的初中，高中和本科生以及研究生的夏季充实计划。

With this award from the Major Research Instrumentation Program that is co-funded by the Chemistry Research Instrumentation and Facilities (CRIF) Program, Professor Kung Wang from West Virginia University and colleagues Jeffrey Petersen, Xiaodong Shi, Jessica Hoover and Brian Popp will acquire a single crystal X-ray diffractometer that will replace an obsolete diffractometer with a single-point detector. The project is aimed at enhancing research and education at all levels, especially in areas such as (a) studies of transition metal complexes for promoting catalytic C-C bond forming and dehydrogenative cross coupling reactions, for modeling enzymatic systems capable of the reductive coupling of CO, or for developing new achiral and chiral reagents; (b) preparation of ambiphilic, BINOLate-type, and 1,2,3-triazole ligand systems (BINOL = the chiral 1,1'-binaphthyl-2,2'-diol); and (c) synthesis of highly strained polycyclic aromatics that serve as end-cap templates for carbon nanotubes and heteroaromatics that display biological activity.An X-ray diffractometer allows accurate and precise measurements of the full three-dimensional structure of a molecule, including bond distances and angles, and provides accurate information about the spatial arrangement of a molecule relative to neighboring molecules. The studies described here will impact a number of areas, including organic and inorganic chemistry, materials chemistry and biochemistry. This instrument will be an integral part of teaching as well as research and research training. It will be the only modern diffractometer in the state which will positively benefit society through research, education, workforce training and outreach and increase the already historic collaborations with outer-of-state schools and used for summer enrichment programs involving middle, high-school and undergraduate as well as graduate students in the area.