The limits of low-spin zinc oxidation states from density functional theory computations: Fluoro‑zinc complexes, ZnF , where n = 1 through 6 and x = 2+ through 3-, including complexes containing the η1-F2-, 1-η1-F3-, and 1,3-η2-F3-ligands | Synapse
March 3, 2026
The limits of low-spin zinc oxidation states from density functional theory computations: Fluoro‑zinc complexes, ZnF , where n = 1 through 6 and x = 2+ through 3-, including complexes containing the η1-F2-, 1-η1-F3-, and 1,3-η2-F3-ligands
Key Points
Oxidation states of fluoro-zinc complexes were analyzed, revealing important limits.
Key findings show that zinc can exist in oxidation states from 2+ to 3- across complexes.
Computations utilized density functional theory to study an array of fluoro-zinc complexes and associated ligands.
Implications are significant for future research in coordination chemistry and material design.