CAREER: Advancing Light-mediated Ni Catalysis using Data Science and Physical Organic Techniques

University Of California-Riverside, Riverside CA

Investigators

Abstract

With funding from the Chemical Catalysis Program of the Chemistry Division, Dr. Bahamonde of the University of California-Riverside will study Ni/photoredox catalysis. The scarcity and high cost of using transition metal catalysts based on Pd, Rh, Ir, and Ru has spurred intense interest in the development of complementary catalytic processes employing earth-abundant transition metals. Among these, the distinct one-electron chemistry and photochemical reactivity of Ni complexes has enabled new modes of reactivity that are largely inaccessible to the aforementioned metals. For the implementation of these new technologies in industrial settings, it is critical to further increase catalyst performance and selectivity. However, currently, scientists do not completely understand how these reactions can be controlled to selectively produce the target molecule over competing byproducts. In this project, Dr. Bahamonde aims to gain a deeper understanding of what Ni-catalyst features drive these reactions and use this information to develop new catalysts that are more selective. Dr. Bahamonde will actively engage in outreach activities that build upon her research to promote engagement of students in science, technology, engineering, and mathematics (STEM) disciplines. These activities, which include summer research internships in Dr. Bahamonde’s laboratory and networking events at local community colleges, will be directed at stimulating the interest of high school and community college students to pursue higher education and STEM careers. Research in this project will be focused on Ni/photoredox catalysis with a special emphasis on understanding the ligand features that favor the selective formation of new C–C and C–N bonds. Chiral Ni complexes will be utilized to explore enantioselective amide and C(sp3)–H functionalization in order to access nitrogen, alpha-heteroatom, and remote functionalizations. To expedite reaction optimization, multivariate linear regression models correlating observed enantioselectivity to compute molecular descriptors will be developed. Understanding what ligand characteristics can facilitate selective access to either of these alternative manifolds will be investigated as well. Dr. Bahamonde will engage in outreach programs focused on narrowing the gender gap in STEM research, the transfer of community college students to 4-year universities, and high school student research internships. This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.