RUI: Probing Molecular Recognition Profiles via Quasiracemic Materials

非技术性摘要在材料研究部固态和材料化学项目的支持下，该项目探索分子形状如何影响晶体固体的内部组织。由于材料性能与构建块的组成及其排列密切相关，因此更好地了解影响组件相互作用的因素对于开发具有多种功能性能的先进材料具有重要意义。该项目由东伊利诺伊大学的一个研究小组主持，通过研究分子邻居的互补形状，将被证明对探索识别过程的结构边界很有用。该活动的教育和服务部分侧重于将学生(本科生和硕士水平)培养为STEM领域的科学家，开发入门有机实验室的教学模块，并为支持严格的本科生研究计划的小型学院和大学的更大学术社区提供X射线仪器服务。技术摘要固体材料的许多功能需要对其构件的分子结构进行精确控制。尽管在过去的几十年里在离散分子的化学合成方面取得了很大的进展，但结构可控超分子组件(例如块状固体)的构建仍然处于原始水平。本项目通过使用构建双分子化合物的准外消旋体方法来探索分子识别过程中分子形状的结构边界。由已知的有机前驱体组成的手性构建块将通过二芳胺和聚乙二醇胺模板合成。由于众所周知，有机分子存在着以中心对称关系排列的高倾向，这一活动探索了这些分子的超分子行为以形成准对称相关的聚集体。视频支持的温度显微镜和量热技术将被用来研究材料对的组装能力。X射线衍射技术将有助于确定所获得材料的详细结构，并有助于确定对这些分子组装的拓扑贡献。

Non-technical AbstractWith the support of the Solid State and Materials Chemistry program in the Division of Materials Research, this project explores how molecular shape impacts the internal organization of crystalline solids. Because material properties intimately relate to the composition of the building-blocks and their alignment, a greater understanding of the factors that influence component interactions holds much importance to the development of advanced materials that exhibit a wide-variety of functional properties. The project is anchored by a research team at Eastern Illinois University and will prove useful for probing the structural boundaries of the recognition process by investigating the complementary shapes of molecular neighbors. The educational and service component of the activity focuses on training students (undergraduate and Master's level) as scientists for careers in STEM fields, developing teaching modules for the introductory organic laboratory, and providing X-ray instrument services to the greater academic community of small colleges and universities that support rigorous undergraduate research programs.Technical AbstractMany functions of solid materials require exquisite control over the molecular architectures of their building blocks. The construction of structurally controlled supramolecular assemblies (e.g., bulk solids) is still at a primitive level despite great progress in the chemical synthesis of discrete molecules over the past few decades. This project explores the structural boundaries of molecular shape to the molecular recognition process by using the quasiracemate approach for constructing bimolecular compounds. Chiral building blocks formulated from known organic precursors will be synthesized via diarylamide and Pemoline templates. Since it is well known that a high propensity exists for organic molecules to arrange in centrosymmetric relationships, this activity explores the supramolecular behavior of these molecules to form quasicentrosymmetrically related aggregates. Video-supported thermomicroscopy and calorimetric techniques will be used to investigate the ability of pairs of materials to assemble. X-ray diffraction techniques will help determine the detailed structures of the materials obtained and assist with determining the topological contributions to these molecular assemblies.