O-Tu-406-2 Unraveling the Electrochemical Reactivities of Aromatic N-Heterocycles with Quantum Chemistry

Tuesday, June 16, 2015: 10:00 AM
406 (Lawrence Convention Center)
Mitchell Groenenboom, Yaqun Zhu, Karthikeyan Saravanan, Jeffrey Carr, Aude Marjolin and John Keith, University of Pittsburgh, USA.
We report N-heterocycle redox potentials and pKas calculated from first principles quantum chemistry to identify molecules that would promote energetically efficient CO2 reductions under electrocatalysis conditions.

Extended Abstracts:

See more of: CO2 Catalytic Conversion to Fuels
See more of: Environmental Catalysis
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