RUI: Diruthenium Catalysts for the Silylation of Carbon-Hydrogen bonds

化学系的化学催化计划支持Chin和Hall教授的项目。钱教授是北方爱荷华州大学化学和生物化学系的教员，而霍尔教授是德克萨斯州A M大学化学系的教员。他们正在开发过渡金属催化剂，将不活泼和低价值的碳氢化合物分子转化为合成有用和有价值的结构单元。这些新的构建模块（分子）用于创建更复杂的结构，如药物或精细化学品。该项目有合成和计算两个组成部分。 这项研究涉及两所大学的本科生。来自爱荷华州雪松谷的高中学生和教师也参加了这个项目。参与的高中教师能够将研究中的催化和动力学原理纳入课堂内容。该项目的重点是开发一系列双钌催化剂，这些催化剂可以裂解碳氢化合物中未反应的碳（C）-氢（H）键，同时生成新的碳-硅（Si）键，从而生成新的三有机硅烷。Chin和Hall教授正在努力使用合成，同位素标记，动力学和计算方法更好地了解这种反应的机制。合成工作在北方爱荷华州大学进行，涉及将钌中心的双齿配体改变为二膦或氮（N）-杂环卡宾。此外，可能的反应中间体，如σ-硅烷配合物和μ-甲硅烷基-eta 2-硅烷配合物的合成和反应性研究进行。这项工作是由霍尔教授使用密度泛函理论（DFT）在得克萨斯州A M大学的计算工作的指导。这项工作涉及本科研究人员和当地高中教师和学生。参与的高中教师能够将研究中的催化和动力学原理纳入课堂内容。这项工作的结果向公众和更广泛的化学界传播。

The Chemical Catalysis Program of the Chemistry Division supports the project by Professors Chin and Hall. Professor Chin is a faculty member in the Department of Chemistry and Biochemistry at the University of Northern Iowa, while Professor Hall is a faculty member in the Department of Chemistry at Texas A&M University. They are developing transition metal catalysts that transform unreactive and low-value hydrocarbon molecules into synthetically useful and valuable building blocks. These new building blocks (molecules) are used in the creation of more complex structures like pharmaceuticals or fine chemicals. The project has both synthetic and computational components. The research involves undergraduate students from both universities. High school students and teachers from the Cedar Valley in Iowa also participate in the project. The participating high school teachers are able to incorporate the principles of catalysis and kinetics from the research into their classroom content. The results of this work are disseminated to the public and to the broader chemistry community.This project is focused on developing a series of diruthenium catalysts that cleave the unreactive Carbon (C)-hydrogen (H) bond of a hydrocarbon while making a new C-silicon (Si) bond, resulting in new triorganosilanes. Professors Chin and Hall are working to better understand the mechanism of this reaction using synthetic, isotopic labeling, kinetic, and computational methods. The synthetic work, performed at the University of Northern Iowa, involves changing the bidentate ligands at the ruthenium centers to diphosphines or nitrogen (N)-heterocyclic carbenes. In addition, the synthesis and reactivity studies of possible reaction intermediates like sigma-silane complexes and mu-silyl-eta2-silane complexes are performed. This work is guided by the computational work of Professor Hall using Density Functional Theory (DFT) at Texas A&M University. The work involves undergraduate researchers and local area high school teachers and students. The participating high school teachers are able to incorporate the principles of catalysis and kinetics from the research into their classroom content. The results of this work are disseminated to the public and to the broader chemistry community.