Kinetically Viable Pathways for Multitopic DCC

在这个由化学系大分子、超分子和纳米化学项目资助的项目中，伊利诺伊大学厄巴纳-香槟分校化学系的Jeffrey S. Moore教授正在开发化学合成新的、形状持久的碳基笼状分子。他正在研究将小前体分子连接成更大的空心笼状结构的方法。从这个项目中获得的知识将直接影响重要碳基材料的设计和合成。此外，三维结构包含长度为几纳米的空洞，并且具有持久的形状，因此这些结构可以隔离其他小分子。摩尔教授和他的研究小组继续参加一些指导和外展活动，向K-12观众和公众传达科学进步的重要性。她们参与了诸如鼓励明天的化学家（ETC）和伊利诺伊州女工程师在学术培训（iFEAT）等具体项目。摩尔教授正在探索构建具有特定腔体的笼状分子的合成方法，用于主客体相互作用、吸附、分离和稳定反应中间体。该领域的典型方法是使用启发式的、以结构为中心的策略，并设计具有目标结构所需的适当几何形状的前体。然而，这种方法经常不能产生期望的结果，或者不能产生可辨别的产品。在这个项目中，摩尔教授正在开发实验方法来探测动态共价化学（DCC）的能量格局，并利用这些信息制定策略，指导DCC前体沿着动力学可行的途径，同时避免不希望的动力学陷阱。正在使用的特定DCC方法是炔元分解，正在解决的具体问题包括动力学陷阱如何影响多主题DCC的结果，什么样的设计策略将指导DCC沿着动力学可行的途径，以及用于构建二维结构的策略如何适应三维笼的合成。从该项目中获得的知识有望直接与其他重要材料的构建相关，如共价有机框架（COFs）。

In this project funded by the Macromolecular, Supramolecular and Nanochemistry Program in the Division of Chemistry, Professor Jeffrey S. Moore of the Department of Chemistry at the University of Illinois, Urbana-Champaign is developing chemistry to synthesize new, shape-persistent, carbon-based cage molecules. He is investigating methods to link small precursor molecules into larger, hollow cage-like structures. Knowledge obtained from this project will directly impact the design and synthesis of important carbon-based materials. In addition, the three-dimensional structures contain voids on the order of a few nanometers in length and with persistent shapes, so these structures may sequester other small molecules. Professor Moore and his research group continue to participate in several mentoring and outreach activities to communicate the importance of scientific advances to K-12 audiences and the general public. They are involved in specific programs such as Encouraging Tomorrow's Chemists (ETC) and the Illinois Female Engineers in Academia Training (iFEAT). Professor Moore is exploring synthetic methods to construct cage molecules with defined cavities for host-guest interactions, adsorption, separation, and stabilization of reactive intermediates. The typical approach in this field is to use a heuristic, structure-focused strategy and design precursors with the appropriate geometry required for a targeted structure. However, this method frequently fails to produce the desired outcome, or yields no discernable products. In this project, Professor Moore is developing experimental methods to probe dynamic covalent chemistry (DCC) energy landscapes and to use that information in formulating strategies to direct DCC precursors along kinetically viable pathways while avoiding undesirable kinetic traps. The particular DCC method being used is alkyne metathesis, and the specific issues being addressed include how kinetic traps affect the outcome of multitopic DCC, what design strategies will direct DCC along kinetically viable pathways, and how strategies used to construct 2-dimensional structures can be adapted to the synthesis of 3-dimensional cages. Knowledge gained from this project is expected to relate directly towards the construction of other important classes of materials such as covalent organic frameworks (COFs).