Achieving Challenging Transformations with 1,2,3-Triazole Based Novel Metal Catalysts

该项目由化学部化学合成计划资助。南佛罗里达大学的施晓东教授开发了用于合成氮杂硼杂环化合物和活化C-H键的新催化体系。在有机化合物（主要由碳和氢组成的化合物）中包含硼在生物医学应用和光电材料中很重要。然而，硼不是大多数有机化合物的一部分。为了解决这一难题，该项目正在开发将硼氮单元插入有机化合物的新方法。此外，这些设计的方法正在被修改，以便它们可以用于增加有机分子的反应性。后一个目标在许多化学过程中非常重要，包括将天然气转化为有价值的化学原料。该项目还使本科生在他们的大学生涯早期进入研究。这使他们能够与研究生和博士后学生在一个多学科的项目，为他们的研究生教育和/或职业生涯在化学工作。该项目的重点是基于金、钯、铁、钴和镍的三唑络合物的新催化剂，以及氮杂硼的合成和C-H键活化的不对称方法。各种催化剂的结构进行了检查，最有前途的进一步研究，使用X射线晶体学，NMR光谱和质谱。每种催化剂的反应机理进行了研究，使用典型的动力学分析，包括NMR光谱和反应IR。该项目提供了多学科催化科学的本科生，研究生和博士后学生的培训。此外，一个面向本科生的外展计划为他们未来的职业发展提供了一个获得研究经验的平台。

This project is funded by the Chemical Synthesis program of the Chemistry Division. Professor Xiaodong Shi of University of South Florida develops new catalytic systems for the synthesis of azaborine compounds and for the C-H bond activation. The inclusion of boron in organic compounds (compounds composed largely of carbon and hydrogen) is important in biomedical applications and optoelectronic materials. However, boron is not part of most organic compounds. To address this difficulty, this project is developing new ways of inserting a boron-nitrogen unit into organic compounds. In addition, these methods devised are being modified so that they can be used to increase the reactivity of organic molecules. This latter goal is very important in many chemical processes including the conversion of natural gas into valuable chemical feedstocks. The project also brings undergraduate students into research early in their college careers. This permits them to work with graduate and postdoctoral students in a multidisciplinary project that prepares them for graduate education and/or careers in chemistry. This project focuses on new catalysts based on triazole complexes of gold, palladium, iron, cobalt and nickel as well as the synthesis of azaborine and asymmetric methods toward C-H bond activation. Various catalyst structures are examined, and the most promising ones are studied further using X-ray crystallography, NMR spectroscopy and mass spectrometry. The reaction mechanism of each catalyst is investigated using typical kinetic analyses including NMR spectroscopy and reactive IR. The project provides training of undergraduate, graduate, and postdoctoral students in multidisciplinary catalytic science. In addition, an outreach program to undergraduates is providing a platform to gain research experience for their future career development.