Catalysts for Alkane and Fluoroalkene Tranformations

烷烃和氟烯烃转化催化剂

• 批准号: 1566622
• 负责人: Dean Roddick
• 金额: $ 46.5万
• 依托单位: University of Wyoming
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2016
• 资助国家: 美国
• 起止时间: 2016-07-01 至 2019-12-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1566622&HistoricalAwards=false
• 关键词: Catalysts; Alkane; Fluoroalkene; Tranformations

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.

在这个由化学部化学催化项目资助的项目中，怀俄明大学的 Dean M. Roddick 教授正在开发新型氢转移催化剂，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。正在寻求将这项研究扩展到高价值氢氟碳化合物的合成。高氟含量的聚合物具有高的热惰性和化学惰性。它们用于燃料电池膜、合成润滑剂和微电子等高科技应用。在该项目中，正在针对几个重要工艺设计和优化用于生产这些材料的催化剂。 罗迪克博士和同事通过年度结构化学研讨会向社区学院的学生介绍怀俄明州唯一的四年制大学校园内的化学研究。 广泛参与和领导国家规定的新科学计划为怀俄明州的科学研究和教育带来了实实在在的好处。二膦铂体系通常比成熟的二亚胺催化剂更活跃。 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。这些物质正在被开发为氟代烯烃低聚催化剂。对模型钯化合物的 DFT 计算预测了 M-R 和 M-Rf 键的能量可接近的氟乙烯插入势垒。 计算还支持一般的氟代烯烃低聚机制。