Isomers of Iron(III) Oxides and Cobalt(III) Oxides and Their Redox Properties: Quantum-Chemical Insights.

ABSTRACT: Iron(III) oxide and cobalt(III) oxide can form distinct spatial and spin configurations. Kite, spindle, and linear geometries have been shown to be stable for the specified electron configurations; however, these oxides generally favor higher open-shell configurations, which are ferromagnetic or antiferromagnetic. Reduction and oxidation reactions affect the geometry and spin states of these systems, sometimes leading to isomer transformations. Calculated standard reduction potentials of iron trioxides against the Standard Hydrogen Electrode (SHE) range from -0.37 V to -0.72 V, depending notably on the oxide geometry, spin, and computational method employed. For cobalt trioxides, standard reduction potentials range from -0.63 V to +0.18 V. Ionization potentials range from approximately 8 e

SUBMITTER: Ibragimov S 

PROVIDER: S-EPMC12608324 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature