Event

"Beginning to understand light-mediated Ni catalysis using physical organic techniques and data science"

The Bahamonde group harnesses the distinct one-electron chemistry and photochemical reactivity of Ni complexes to generate and trap C-centered radicals enantioselectively and promote C−N reductive eliminations at room temperature. Our excitement for studying these systems stems from the fact that these two apparently unrelated processes are facilitated under almost identical conditions, but to date the ligand features, photocatalyst properties, and subtle reaction condition variations that favor one pathway over the other are not yet understood. Additionally, to expedite reaction optimization, the group develops multivariate linear regression models correlating observed enantioselectivity to computed molecular descriptors. 

Research 

The Bahamonde group harnesses the one-electron chemistry and photochemical reactivity of Ni complexes to generate and trap C-centered radicals enantioselectively and promote C−heteroatom reductive eliminations at room temperature. Like other first-row transition metals, Ni is adept at enabling both one- and two-electron steps, thereby allowing access to broad and distinct reactivity. Although the propensity of Ni to facilitate multiple possible mechanisms can be valuable, it also increases the difficulty of controlling catalysis to develop and optimize new reactions. In this context, the Bahamonde group's approach to Ni catalysis is rooted in accompanying our reaction development campaigns with experimental mechanistic studies. Additionally, to expedite reaction optimization, the group develops multivariate linear regression models correlating observed enantioselectivity or yield to computed molecular descriptors.
https://www.bahamondegroup.com/ana-bahamonde

Host Prof. Marisa Kozlowski