MRI: Acquisition of an "All-But-Detector" Single Crystal Diffractometer

该奖项来自化学研究仪器和设施（CRIF）项目共同资助的主要研究仪器项目，来自乔治城大学的K. Travis Holman教授和他的同事将获得一个没有探测器的单晶x射线衍射仪，因为目前有最先进的探测器。该项目的目的是加强各级的研究和教育，特别是在诸如(a)金属-有机和金属-有机金属框架材料研究等领域；(b)气体分离和储存用分子材料；(c)自组装和包封化学；(d)晶体多态性；(e)致病性晶体生长；(f)结晶炸药；(g)光可切换磁性材料；(h)单分子磁体；(1) C-H键功能化的分子材料催化中间体；(j)生物无机模型；(k)受挫Lewis对和no活化化学；(l)立体动力传感器；(m)和不对称催化。x射线衍射仪可以精确测量分子的完整三维结构，包括键距和角度，并提供有关分子相对于邻近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。该仪器将成为教学、研究和研究培训的一个组成部分，并将有助于教育参加诸如ACS项目SEED和nsf支持的REU计划等活动的学生，以及本科生、研究生和博士后。

With this award from the Major Research Instrumentation Program that is co-funded by the Chemistry Research Instrumentation and Facilities (CRIF) Program, Professor K. Travis Holman and colleagues from Georgetown University will acquire a single-crystal X-ray diffractometer without a detector since a state-of-the-art detector is currently available. The project is aimed at enhancing research and education at all levels, especially in areas such as (a) studies of metal-organic and metal-organometallic framework (MOFs) materials; (b) molecular materials for gas separation and storage; (c) self-assembly and encapsulation chemistry, (d) crystal polymorphism; (e) pathogenic crystal growth; (f) crystalline explosives; (g) optically-switchable magnetic materials; (h) single-molecule magnets; (i) molecular materials catalytic intermediates for C-H bond functionalization; (j) bioinorganic modeling; (k) frustrated Lewis pair and NO-activation chemistry; (l) stereodynamic sensors; and (m) and asymmetric catalysis.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 and will contribute to educate students participating in activities such as the ACS project SEED and an NSF-supported REU program as well as undergraduate, graduate students and postdoctoral fellows.