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

化学学部的化学催化项目支持Chin教授和Hall教授的项目。Chin教授是北爱荷华大学化学与生物化学系的教员，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构件。这些新的构建模块（分子）用于制造更复杂的结构，如药品或精细化学品。该项目既有合成组件，也有计算组件。这项研究涉及两所大学的本科生。爱荷华州雪松谷的高中生和教师也参与了这个项目。参与的高中教师能够将研究中的催化和动力学原理结合到课堂内容中。这项工作的结果被传播给公众和更广泛的化学社区。该项目的重点是开发一系列的二钌催化剂，这些催化剂可以裂解碳氢化合物的非活性碳(C)-氢(H)键，同时生成新的碳-硅（Si）键，从而产生新的三有机硅烷。Chin和Hall教授正在使用合成、同位素标记、动力学和计算方法来更好地理解这种反应的机理。在北爱荷华大学进行的合成工作包括将钌中心的双齿配体改变为二膦或氮(N)杂环羰基。此外，还对可能的反应中间体如sigma-硅烷配合物和多硅基-乙基-硅烷配合物的合成和反应性进行了研究。这项工作是由得克萨斯农工大学霍尔教授使用密度泛函理论（DFT）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结合到课堂内容中。这项工作的结果被传播给公众和更广泛的化学社区。

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.