Synthesis, Structure, and Electronic Properties of a Mixed-Valent Dodecairon Oxo Complex, a Model for the Biomineralization of Ferritin

Synthesis, Characterization, and Study of Octanuclear Iron-Oxo Clusters Containing a Redox-Active Fe4O4-Cubane Core

“…The crystal structures of 1 -4 ( Figure 1 The Ga-analogue of 1, Ga 8 (μ 4 -O) 4 (μ-pz) 12 Cl 4 , is also known. 37 As Ga III and Fe III have similar radii, the bond lengths and angles around the Ga-centers are quite similar to those around the Fe-centers of 1.…”

“…In order to shed further light on the magnetic interactions in the parent cluster, Fe 8 (μ 4 -O) 4 (μpz) 12 Cl 4 , we have explored its electronic structure using spin-unrestricted density functional theory (B3LYP functional). Using the crystallographically determined geometry, we have computed the energies of three distinct electronic configurations (Scheme 2), differing in the relative orientations of the spins vectors.…”

Magnetic Exchange between Orbitally Degenerate Metal Ions: The Problem of Magnetic Anisotropy

“…Organic molecules containing unpaired electrons are also being used for obtaining building blocks for molecular-based magnets (7}11). Magnetic clusters of transition metal ions are relevant in biochemistry (e.g., ferredoxins (12), photosystem II (13), and the storage protein ferritin (14,15).…”

[Fe19] “Super‐Lindqvist” Aggregate and Large 3D Interpenetrating Coordination Polymer from Solvothermal Reactions of [Fe2(OtBu)6] with Ethanol

“…[17][18][19][20][21][22] They possess ah ighly symmetrical hexanuclear Lindqvist [Fe 6 O 19 ]c ore. [23] Thef usion of two such [Fe 6 O 19 ]o ctahedra by one common edge results in the well-known decametalate structure comprising a[ Fe 10 O 28 ]f ramework. [24][25][26] Interestingly,o nly few molecular metal-oxygen compounds with more than three m 6 -oxo groups have been reported. [27][28][29][30] In the present work, we aimed for the synthesis of polynuclear iron-oxygen species comprising more than two m 6 -oxo groups.F or the formation of highly aggregated and spherical metal-oxygen complexes,small organic moieties of simple alkoxo groups (methoxo or ethoxo) appeared to be the most suitable.Each just allows the saturation of asmall area, minimizing the ratio between surface and volume of the aggregate.T hus,w ep ostulated that this should lead to complexes with spherical-like shapes.…”