Catalysts for Alkane and Fluoroalkene Tranformations

在这个由化学部门化学催化项目资助的项目中，怀俄明大学的Dean M. Roddick教授正在开发新的氢转移催化剂，用于将大量但不太有用的碳氢化合物原料转化为更有用的烯烃产品。将这项研究扩展到高价值氢氟碳化合物的合成。高氟聚合物具有较高的热惰性和化学惰性。它们被用于高科技应用，如燃料电池膜、合成润滑剂和微电子。在这个项目中，生产这些材料的催化剂正在为几个重要的过程进行设计和优化。罗迪克博士和同事通过一年一度的结构化学研讨会，向社区大学的学生介绍怀俄明州唯一一所四年制大学校园里的化学研究。广泛参与和领导新的国家授权的科学倡议为怀俄明州的科学研究和教育带来了实实在在的好处。二膦铂系通常比公认的二亚胺催化剂更有活性。这项工作将铂催化的使用扩展到含有全氟膦配体的钯和镍体系。这些物种正在开发作为氟烯烃低聚催化剂。模型钯化合物的DFT计算预测M-R和M-Rf键的能量可达氟乙烯插入屏障。计算还支持一般的氟烯烃低聚机理。

In this project funded by the Chemical Catalysis program of the Chemistry Division, Professor Dean M. Roddick of the University of Wyoming is developing new hydrogen transfer catalysts for the conversion of plentiful, but less useful hydrocarbon feedstocks to more useful olefin products. An extension of this research to the synthesis of highly valuable hydrofluorocarbons is pursued. Polymers with high fluorine content possess high thermal and chemical inertness. They are used in high-tech applications such as fuel cell membranes, synthetic lubricants, and microelectronics. In this project, catalysts for the production of these materials are being designed and optimized for several important processes. Dr. Roddick and coworkers introduce community college students to chemical research on the campus of Wyoming's only 4-year university through annual Structural Chemistry workshops. Extensive participation and leadership in the new state-mandated Science Initiative brings tangible benefits to scientific research and education across the state of Wyoming.Diphosphine platinum systems are generally more active than well-established diimine catalysts. This work extends the use of platinum catalysis to palladium and nickel systems containing perfluorinated phosphine ligands. These species are being developed as as fluoroalkene oligomerization catalysts. DFT calculations on model palladium compounds predict energetically accessible fluoroethylene insertion barriers for M-R and M-Rf bonds. The calculations also support a general fluoroalkene oligomerization mechanism.