Derrick Poe co-authors new paper from BEES effort

Working with the BEES team at Case Western, Derrick Poe co-authored a recent paper entitled “A Nitroxide Containing Organic Molecule in a Deep Eutectic Solvent for Flow Battery Applications” (Journal of the Electrochemical Society, 2021, 168, 020527,  https://doi.org/10.1149/1945-7111/abe28a). In this work, experimental and computational studies were carried out to investigate the nitroxide radical redox organic molecule, 2-phenyl-4,4,5,5-tetrame-thylimidazoline-1-oxyl-3-oxide (PTIO) in a deep eutectic solvent consisting of 1 1:4 molar mixture of choline chloride and ethylene glycol. Molecular modeling was performed to investigate the relative stability of PTIO as compared to the previously studied 4-hydroxy-TEMPO (4HT). It was found that the oxoammonium cation 4HT+ exhibits a noticeably larger nucleophilic reactive cloud as compared to PTIO+, indicating a higher reactivity.