Synthesis, characterization and computational study of the catalyst precursor [ir(cod)(carben-thioeter)]barf

Identifier:  TFG:1697

Handle: https://hdl.handle.net/20.500.11797/TFG1697

Authors:  Faiges Marcos, Jorge

Abstract:
A new ligand carbene-thioether has been synthesized and characterized for its future application in the hydrogenation of minimally functionalized olefins. This ligand has been successfully coordinated to iridium to yield the catalyst precursor [Ir(cod)(carbene-thioether)]BArF. Moreover, a computational study of the catalyst precursor has been performed to determine both the absolute configuration of the sulfur atom upon coordination and the most stable conformation of the chelate ring.