Hydrocarbon and Alkene Conversion Chemistry with PFAP Catalysts

化学催化计划支持怀俄明大学院长M.罗迪克教授关于开发全氟烷基膦(PFAP)金属络合物催化剂的研究，以有效地将简单碳氢化合物原料转化为有用的产品。研究的具体挑战是烷烃的选择性脱氢和烷烃的串联氧化为醇和酮，以及氟烯烃的受控齐聚。PFAP系统的一个关键特征是其独特的空气和湿度稳定性，这使得金属反应中心能够在严格的氧化和水解条件下执行基本的C-H和C-C键形成步骤。密度泛函理论(DFT)的研究进一步表明，第10族金属PFAP系统特别适合于新型的氟烯烃齐聚和聚合化学。首先，这项研究项目解决了催化领域中几个至关重要且尚未实现的研究挑战。从丰富的碳氢化合物原料到有用的化学前体和原料的实用高效转化方法的发现，将改变化学工业，改善原子经济性，提高合成效率。其次，罗迪克教授的研究小组不仅将研究生和本科生培养为未来催化研究的专业人员，还通过访问和研讨会带头接触怀俄明州的社区大学，并与新成立的怀俄明大学能源资源学院合作并做出贡献。

The Chemical Catalysis Program supports the research of Professor Dean M. Roddick of the University of Wyoming on the development of perfluoroalkylated phosphine (PFAP) metal complex catalysts for the efficient conversion of simple hydrocarbon feedstocks to useful products. Specific challenges for investigation are the selective dehydrogenation of alkanes and tandem oxidation of alkanes to alcohols and ketones, as well as the controlled oligomerization of fluoroolefins. A key feature of PFAP systems is their unique air- and moisture-stability, which allows metal reaction centers to carry out fundamental C-H and C-C bond forming steps under stringent oxidative and hydrolytic conditions. Density Functional Theory (DFT) studies further suggest that group 10 metal PFAP systems are particularly well-suited to novel fluoroolefin oligomerization and polymerization chemistry.This award will provide a twofold impact on the larger community. First, this research project addresses several critically important and unrealized research challenges in catalysis. Discovery of practical and efficient conversion methodologies from abundant hydrocarbon feedstocks to useful chemical precursors and feedstocks would transform chemical industry, improve atom economy and increase synthetic efficiencies. Second, Professor Roddick's research group trains not only graduate and undergraduate students as future professionals in catalysis research, but also spearheads outreach to community colleges throughout Wyoming through visits and workshops, and also collaborates and contributes to the newly-formed School of Energy Resources at the University of Wyoming.