Beginning to understand light-mediated Ni catalysis
using physical organic techniques and data science
Research summary
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.