IRES: Development of New Ligands and Reactions in Catalysis

Olaf Wiest和Paul Helquist圣母大学的非技术性摘要：这个项目将支持圣母大学的三名研究生和两名本科生分别进行为期16周和10周的研究访问，在海德堡大学的四个德国领先的研究小组进行催化领域的研究。催化是工业化学中最重要的通用技术。从药品到高性能材料，超过80%的化学产品在合成过程中至少使用过一次催化剂。因此，开发新的和改进的催化剂是化学领域的一个中心课题，具有巨大的环境和经济效益。鉴于海德堡在催化领域的突出地位(海德堡大学附属的18位诺贝尔化学奖获得者中的几位的工作证明了这一点)，以及拟议项目的结构化、长期性，学生们不仅将获得技能和经验，还将获得在当今国际、相互联系的科学和商业世界中蓬勃发展的网络机会。技术摘要：该研究分为四个广泛的领域，涵盖现代催化领域的一系列现代主题，这些领域是圣母大学和海德堡大学的研究人员的共同优势领域：(I)金催化的配体、方法和机制(哈希米)，(Ii)具有多齿立体定向配体的手性催化剂(GADE)，(Iii)具有高价过渡金属络合物的氧化催化(COMBA)和(Iv)单分子催化(Herten)。这些单独的项目涵盖了催化的有机、金属有机和物理化学方面，旨在连接两所参与大学的教职员工的研究兴趣。它们包含了大量的新概念，如a)新的特权配体支架，允许精确定位定向基团，例如用于氮转移反应；b)新型的金催化反应，如无二次金属的光氧化还原催化；c)用于稳定仿生高价金属催化的新型配体；以及(D)在单分子水平上研究重要催化反应的基本反应步骤，如歧化反应或环氧化反应。他们的统一原则是一种严格的基于结构和机制的方法，通过使用一系列先进的实验和计算工具来生成假设，然后以迭代和加速的方式进行实验测试。

Title: Development of New Ligands and Reactions in CatalysisOlaf Wiest and Paul HelquistUniversity of Notre Dame Non-technical Abstract:This project will support research visits of 16 and 10 weeks, respectively, of three graduate and two undergraduate students from the University of Notre Dame to perform research in four of Germany's leading research groups at the University of Heidelberg in the area of catalysis. Catalysis represents the most important general technology in industrial chemistry. More than 80 percent of all chemical products, from pharmaceuticals to high-performance materials, result from use of catalysts at least once during their synthesis. Thus, the development of new and improved catalysts is a central topic in chemistry with huge environmental and economic benefits. Given Heidelberg's prominence in the field of catalysis (as evidenced by the work of several of the 18 winners of the Chemistry Nobel Prize affiliated with the University of Heidelberg) and the structured, long-term character of the proposed program, the students will not only gain the skills and experience but also have networking opportunities to thrive in today's international, interconnected world of science and business.Technical Abstract:The research is divided into four broad areas covering a range of modern topics in catalysis that are common areas of strength researchers at the Universities of Notre Dame and Heidelberg: (i) Ligands, methodology and mechanisms in gold catalysis (Hashmi), (ii) chiral catalysts with polydentate stereodirecting ligands (Gade), (iii) Oxidation catalysis with high-valent transition metal complexes (Comba) and (iv) Single-Molecule Catalysis (Herten). The individual projects cover organic, metalorganic and physical chemistry aspects of catalysis are designed to interface the research interests of faculty members at the two participating universities. They incorporate a large number of new concepts such as a) new privileged ligand scaffolds that allow the precise positioning of directing groups, e.g. for nitrogen transfer reactions, b) new types of gold-catalyzed reactions such as photoredox catalysis without a secondary metal, c) novel ligands for the stabilization of biomimetic high-valent metals in catalysis and (d) the study of elementary reaction steps of important catalytic reactions such as metathesis or epoxidation reactions at the single molecule level. Their unifying principle is a rigorous structure- and mechanism-based approach whereby a range of advanced experimental and computational tools are used to generate a hypothesis, which is then tested experimentally in an iterative and accelerated fashion.