IRES: Development of New Ligands and Reactions in Catalysis

职务名称：开发新的配体和催化反应Olaf Wiest和Paul Helquist圣母大学非技术摘要：该项目将分别支持圣母大学的三名研究生和两名本科生进行为期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中进行催化研究。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，80%以上的化学产品在合成过程中至少使用一次催化剂。因此，开发新的和改进的催化剂是化学领域的中心课题，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）以及拟议计划的结构化，长期性，学生不仅将获得技能和经验，而且还将有机会在当今国际化，相互联系的科学和商业世界中茁壮成长。技术摘要：该研究分为四个广泛的领域，涵盖了一系列催化的现代主题，这些主题是圣母大学和海德堡大学研究人员的共同领域：（i）金催化中的配体、方法和机理（Hashmi），（ii）具有多齿立体定向配体的手性催化剂（Gade），（iii）用高价过渡金属络合物的氧化催化（Comba）和（iv）单分子催化（赫尔滕）。个别项目涵盖催化的有机，金属有机和物理化学方面，旨在将两所参与大学的教师的研究兴趣结合起来。它们结合了大量的新概念，例如a）新的特权配体支架，其允许定向基团的精确定位，例如用于氮转移反应，B）新类型的金催化反应，例如没有第二金属的光氧化还原催化，c）用于在催化中稳定仿生高价金属的新型配体，和（d）在单分子水平上研究重要催化反应如复分解或环氧化反应的基元反应步骤。他们的统一原则是一种严格的基于结构和机制的方法，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.