Design Rules for Dynamic Macrocyclization

通过这一奖项，化学合成计划支持伊利诺伊大学厄巴纳-香槟分校化学系的杰弗里·S·摩尔教授的研究。摩尔教授的研究工作围绕着功能高分子结构的合理设计展开。该项目将继续致力于开发高效的动态炔化法合成形状恒定的大环化合物。虽然通过动态共价化学制备形状恒定的大环是一个既定的过程，但产品分布并不总是直观的，需要一套通用的单体设计标准。将进行详细的结构-性质关系研究，以加深对单体特性在大环动态形成过程中的作用的理解。从这些研究中，将开发出一套设计规则，这些规则将概括在热力学控制下有效准备大循环的条件要求。具有潜在新功能的新型芳撑乙叉大环的制备将是这项研究的直接结果。该方法的成功发展将对战场传感器的发展产生影响，因为这些大周期对爆炸物及其前体高度敏感。此外，该项目还将为研究生提供高级化学研究方面的优秀培训。包括高中生、夏令营、科学俱乐部和电视台无偿科学咨询在内的科学推广活动也是该项目的组成部分。

With this award, the Chemical Synthesis Program is supporting the research of Professor Jeffrey S. Moore of the Department of Chemistry at the University of Illinois, Urbana-Champaign. Professor Moore's research efforts revolve around the rational design of functional macromolecular architectures. This project will continue work on the development of efficient methods for shape-persistent macrocycle synthesis by dynamic alkyne metathesis. While the preparation of shape-persistent macrocycles via dynamic covalent chemistry is an established process, product distribution is not always intuitive, and a general set of design criteria for monomers is needed. Detailed structure-property relationship studies will be undertaken to develop a deeper understanding of the role of the monomer identity on the dynamic formation of macrocycles. From these studies, a set of design rules will be developed that will generalize the conditional requirements for the efficient preparation of macrocycles under thermodynamic control. The preparation of novel arylene ethynylene macrocycles with potentially novel functionality will be a direct result of this study. Successful development of the methodology will have an impact on the development of sensors for battlegrounds, as these macrocycles are highly sensitive to explosives and their precursors. In addition, this project will provide excellent training in advanced chemistry research to graduate students. Scientific outreach activities involving high school students, summer camps, science clubs, and unpaid scientific consulting for TV stations are also integrative parts of this project.