Catalytic hydrodefluorination using cyclopentadienyl complexes of group 4 and rare earth metals

由于C-F键的高键能和动力学惰性，使得有机氟化合物的功能化成为现代有机金属化学的主要挑战之一。双（三氟）二氟钛（IV）被证明是一种非常有效的预催化剂，用于以硅烷为氢化物源的氟代烯烃如六氟丙烯的催化加氢脱氢。通过底物范围的扩展，该方法将被建立为用于合成不同的部分氟化有机化合物的工具。系统的优化将导致更好的性能、选择性和官能团耐受性。这一目标需要通过实验和理论方法详细研究反应机理以及配体和金属的影响。

The high bond energy and the kinetic inertness of C-F bonds have made the functionalization of organofluorine compounds one of the major challenges in modern organometallic chemistry. Bis(cyclopentadienyl)difluoridotitanium(IV) turned out to be a very effective precatalyst for the catalytic hydrodefluorination of fluoro alkenes like hexafluoropropene, using silanes as hydride source. By expansion of the substrate scope, this method is to be established as a tool for the synthesis of different partially fluorinated organic compounds. A systematic optimization shall result in a better performance, selectivity and functional group tolerance. This aim requires a detailed study of the reaction mechanism and influences of the ligands and the metal by experimental and theoretical methods.