Mechanistic studies of organometallic reactions at group 10 metals and N₂ activation at a titanium center
Presented by Dr. Dae Young Bae
Abstract:
In this presentation, a base-free aerobic C–H bond activation of Pd(II) complexes [(κ2-ᵖᴿN3CH)Pd(II)(MeCN)](BF₄)₂ (R = H, Me, OMe, CN) to afford the Pd(III) complexes [(κ4-ᵖᴿN3C)Pd(III)(MeCN)₂](BF₄)₂ at room temperature will be presented. To elucidate the reaction mechanism, we conducted kinetic studies to determine the reaction order and employed Hammett plot and kinetic isotope effect studies.
In our second project, we employed density functional theory (DFT) calculations to investigate the energy barriers for β-hydride elimination (βHE) at nickel and palladium complexes with different oxidation states and geometries. Furthermore, we explored the relationship between βHE and coordination numbers.
Lastly, I briefly present the activation of dinitrogen at a titanium complex supported by an amino triphenolate ligand, which was conducted as part of my PhD program. A detailed structural and reactivity studies for the dititanium dinitrogen complex will be delivered.
Bio:
Dae Young is currently a postdoctoral research associate at the University of Illinois at Urbana-Champaign in the laboratory of Prof. Liviu Mirica. Prior to his current role, he conducted his doctoral research at Pohang University of Science and Technology (POSTECH). He is the recipient of a postdoctoral fellowship from the National Research Foundation of Korea (NRF) and the Global Ph.D. Fellowship from the Ministry of Science and ICT.
