Reducing properties of 1,2-dipyridyl-1,2-disodioethanes: chemical validation of theoretical and electrochemical predictions

Abstract

Theoretical calculations and electrochemical analysis were used to set up a relative scale for the reducing strength of the dianions of 1,2-dipyridylethenes, validated by studying their reactivity towards halogenated benzoic and arylacetic acids.

Novel artificial ionic cofactors for efficient electro-enzymatic conversion of CO2 to formic acid

“…S6. While it is clear that inclusion of the implicit solvent is important for a proper calculation of the electron attachment energy, in agreement with what was observed before either for neutral or charged species [41,42], it is possible that for some compounds (BPOCH 3…”

“…For several classes of compounds, the redox potential has been found to have a linear relationship with the electron affinity and the related properties of electron attachment energy, either neutral or more seldom charged [40,41]. We verified whether this relationship holds also for this class of compounds.…”