(509j) Modeling Organic Photoredox Catalyst Reduction Kinetics, Donor-Acceptor Interactions, and Degradation Pathways in CO2 Reduction Catalytic Cycle
AIChE Annual Meeting
2021 Annual Meeting
Catalysis and Reaction Engineering Division
Poster Session: Catalysis and Reaction Engineering (CRE) Division
Wednesday, November 10, 2021 - 3:30pm to 5:00pm
Calculated adiabatic electron transfer rates for the reduction of CO2 by anionic terphenyl exhibit a plateauing dependence on electrophilicity (represented by the Hammett parameter, Ïp), which stems from the combination of a parabolic dependence of âG on Ïp and high Î»âs for certain electron donating groups (EDGâs). EDGâs enhance âG of this step by making the radical anion unstable, and therefore more reducing. To determine substituent effects on degradation pathways, this research investigates the hypothesis that excited state complexes, or exciplexes, formed between the excited chromophore and the sacrificial electron donor can accelerate degradation via Birch reduction. By describing these degradation routes, we can develop a complete description of the electronic properties of terphenyl catalysts as they reduce CO2.