Synthesis of N-Heterocyclic Carbene Complexes of Coinage Metals and Their Application in the Activation of Hydrogen

The main cause of the ongoing global climate crisis is the emission of greenhouse gases, and current climate reports emphasize the need to transition to low-emission renewable energy sources. Urgently needed are methods for storing renewable energy, such as synthetic fuels like hydrogen (H2) gas; however, a challenge to the widespread implementation of hydrogen fuel is its low volumetric energy density. This thesis describes an effort to synthesize a catalyst that takes advantage of hard-soft acid-base (HSAB) mismatches to activate H2 and facilitate its reaction with CO2 to form hydrocarbon fuels, thereby providing a sustainable means of storing renewable energy in high-density carbon-neutral fuels. The catalyst design features an exceptionally bulky N-heterocyclic carbene (NHC) ligand known as IPr** (3-Bis[2,6-bis[bis(4-tert-butylphenyl)methyl]-4-methylphenyl]-1H-imidazol-3-ium chloride), a coinage metal acting as a soft acid, and a hard base such as an alkoxide ion. Herein is reported a modified synthetic route of IPr**, along with its metalation with silver, and preliminary results of the addition of an alkoxide base. The ligand and its complex with silver are structurally characterized by nuclear magnetic resonance (NMR) spectroscopy. Further work is needed to complete the characterization of IPr**-supported HSAB mismatch complexes and investigate their potential to activate H2.