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

化学部化学催化计划支持金教授和霍尔教授的项目。Chin教授是北爱荷华大学化学和生物化学系的教员，而Hall教授是德克萨斯农工大学化学系的教员。他们正在开发过渡金属催化剂，将不活性和低价值的碳氢化合物分子转化为合成有用和有价值的构件。这些新的构建块(分子)被用来创建更复杂的结构，如药物或精细化学品。该项目既有合成部分，也有计算部分。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生和老师也参与了这个项目。参与研究的高中教师能够将研究中的催化和动力学原理融入他们的课堂内容。这项工作的结果被传播给公众和更广泛的化学界。该项目专注于开发一系列二Ru催化剂，这些催化剂在裂解碳氢化合物的未反应碳(C)-氢(H)键的同时生成新的C-硅(Si)键，从而产生新的三有机硅烷。金教授和霍尔教授正在努力使用合成、同位素标记、动力学和计算方法来更好地了解这种反应的机理。这项在北爱荷华大学进行的合成工作涉及将Ru中心的双齿配体改变为双膦或氮(N)杂环卡宾。此外，还对可能的反应中间体，如Sigma-硅烷络合物和Mu-硅基-eta2-硅烷络合物的合成和反应活性进行了研究。这项工作是由德州农工大学的霍尔教授使用密度泛函理论(DFT)进行的计算工作指导的。这项工作涉及本科生研究人员和当地高中师生。参与研究的高中教师能够将研究中的催化和动力学原理融入他们的课堂内容。这项工作的结果被传播给公众和更广泛的化学界。

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.