RUI: Probing Molecular Recognition Profiles via Quasiracemic Materials

在材料研究部固态和材料化学项目的支持下，该项目探索了分子形状如何影响结晶固体的内部组织。 由于材料的性能密切相关的积木的组成和他们的排列，更好地了解影响组件相互作用的因素具有非常重要的先进材料，表现出各种各样的功能特性的发展。 该项目由东伊利诺伊大学的一个研究小组主持，将通过研究分子邻居的互补形状来探索识别过程的结构边界。 活动的教育和服务部分侧重于培训学生（本科和硕士水平）作为科学家在干领域的职业生涯，开发教学模块的介绍有机实验室，并提供X-射线仪器服务于更大的学术界的小型学院和大学，支持严格的本科生研究计划。构建它们的分子结构。 结构受控的超分子组装体的构建（例如，大块固体）仍然处于原始水平，尽管在过去几十年中在离散分子的化学合成方面取得了很大进展。 本计画利用拟配位法建构双分子化合物，探讨分子形状与分子识别过程的结构界限。 由已知有机前体配制的手性结构单元将通过二芳基酰胺和Pemoline模板合成。 由于众所周知，有机分子以中心对称关系排列的倾向性很高，因此该活动探索了这些分子形成准中心对称相关聚集体的超分子行为。 视频支持的热显微镜和量热技术将被用来研究材料对组装的能力。 X射线衍射技术将有助于确定所获得的材料的详细结构，并有助于确定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.