Cleavage and Formation of C-S and C-N Bonds in Heterocyclic Compounds by Homogeneous Transition Metal Complexes

化学催化计划支持威廉·D·教授的研究。Jones的关于通过均相过渡金属络合物在杂环化合物中裂解和形成碳-硫（C-S）和碳-氮（C-N）键的研究。 用硫的研究在深度加氢脱硫（深度HDS）反应中有应用，而用氮的研究集中于在含有用于杂环合成的定向基团的分子中使用亲电C-H键活化。 具体而言，研究人员获得了关于强和/或受阻C-X键（X = S或N）裂解的动力学和热力学信息，提供了关于C-X键裂解和形成机制的信息，使用密度泛函理论（DFT）努力理解键裂解反应的机制，并开发了用于操纵C-S和C-N键的新催化体系。该研究项目的重点是开发新的合成路线，以制造含氮杂环，这是许多生物重要化合物的基本组成部分。 基于过渡金属的催化剂也可能对制备具有药物重要性的中间体的新途径产生影响。 在学习如何选择性地打破碳-硫键、碳-氢键或碳-碳键时，琼斯教授和他的研究生和本科生为满足EPA关于燃料低硫排放的新标准做出了贡献。 鼓励汉普顿大学的硕士研究生参加本研究项目，并可直接进入博士学位。罗切斯特大学的项目。 McNair学者和NSF REU学生也为研究工作做出了贡献。

The Chemical Catalysis Program supports the research of Professor William D. Jones of the University of Rochester on the cleavage and formation of carbon-sulfur (C-S) and carbon-nitrogen (C-N) bonds in heterocycle compounds by homogeneous transition metal complexes. The studies with sulfur have applications in deep hydrodesulfurization (deep HDS) reactions while the studies with nitrogen focus on the use of electrophilic C-H bond activation in molecules containing directing groups for heterocycle synthesis. Specifically, the researchers obtain kinetic and thermodynamic information on the cleavage of strong and/or hindered C-X bonds (X = S or N), provide information about the mechanisms for C-X bond cleavage and formation, work to understand the mechanism of the bond cleavage reactions using density functional theory (DFT), and develop new catalytic systems for the manipulation of C-S and C-N bonds. This research project is focused on the development of new synthetic routes to make nitrogen-containing heterocycles, which are fundamental building blocks in many biologically-important compounds. The transition metal-based catalysts may also have an impact on new routes towards intermediates of pharmaceutical importance. In learning how to selectively break carbon-sulfur versus carbon-hydrogen or carbon-carbon bonds, Professor Jones and his graduate and undergraduate students contribute to meeting new EPA standards for low sulfur emissions from fuels. Master's level graduate students from Hampton University are encouraged to participate in this research project and can be accepted directly into the Ph.D. Program at the University of Rochester. McNair Scholars and NSF REU students also contribute to the research efforts.