Catalysts for Alkane and Fluoroalkene Tranformations

在这个由化学系化学催化计划资助的项目中，怀俄明大学的Dean M.Roddick教授正在开发新的氢转移催化剂，用于将大量但用途较少的碳氢化合物原料转化为更有用的烯烃产品。将这项研究扩展到合成高价值的氢氟烃。高氟含量的聚合物具有较高的热稳定性和化学惰性。它们被用于燃料电池膜、合成润滑剂和微电子等高科技应用。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。罗迪克博士和他的同事们通过一年一度的结构化学研讨会，向社区大学生介绍怀俄明州唯一的四年制大学校园里的化学研究。广泛参与和领导新的国家规定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。双膦铂体系通常比成熟的双亚胺催化剂更活跃。这项工作将铂催化的用途扩展到含有全氟化膦配体的钯和镍体系。这些物种正被开发为氟烯齐聚催化剂。模型钯化合物的密度泛函理论计算预测了M-R和M-RF键的氟乙烯插入势垒。计算还支持一般的氟烯烃齐聚机理。

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.