Electrostatic Modeling of the Tunable Potential Difference between the Two Consecutive Oxidation Steps of Dinickel Bisfulvalene

Frédéric Barrière (1)

1 ISCR - Institut des Sciences Chimiques de Rennes

The tuning by medium effect of the potential difference between the two consecutive electron transfers of dinickel bisfulvalene is qualitatively modeled by the Born solvation model and the Coulomb charge attraction/repulsion law. Calls are made for a better electrostatic understanding of the electrochemical experiment and for accurate modeling with theoretical chemistry.

Domaines: Chimie organique

Frédéric Barrière. Electrostatic Modeling of the Tunable Potential Difference between the Two Consecutive Oxidation Steps of Dinickel Bisfulvalene. Organometallics, 2014, 33 (18), pp.5046-5048. ⟨10.1021/om500248z⟩. ⟨hal-01151680⟩