Structure of a Fe<sub>4</sub>O<sub>6</sub>-Heteraadamantane-Type Hexacation Stabilized by Chelating Organophosphine Oxide Ligands
Metal-containing heteraadamantanes are compounds of interest due to their spectroscopic and magnetic properties, which make them promising materials for non-linear optics and semiconductors. Herein we report the comprehensive structural characterization of a new coordination compound of the formula...
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| Autores principales: | , , |
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| Formato: | article |
| Lenguaje: | EN |
| Publicado: |
MDPI AG
2021
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| Materias: | |
| Acceso en línea: | https://doaj.org/article/3fcc3dca280e4afbab259150b1dc098c |
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| Sumario: | Metal-containing heteraadamantanes are compounds of interest due to their spectroscopic and magnetic properties, which make them promising materials for non-linear optics and semiconductors. Herein we report the comprehensive structural characterization of a new coordination compound of the formula [(<i>µ</i>-OH′)<sub>2</sub>(<i>µ-</i>OH″)<sub>4</sub>(O = P(Ph<sub>2</sub>)CH<sub>2</sub>CH<sub>2</sub>(Ph<sub>2</sub>)P = O)<sub>4</sub>{Fe(<i>t</i>-BuOH)}<sub>4</sub>](PF<sub>6</sub>)<sub>4</sub>(Cl)<sub>2</sub> with the chelating ligand Ph<sub>2</sub>P(O)-CH<sub>2</sub>CH<sub>2</sub>-P(O)Ph<sub>2</sub>. The compound crystallizes as a polynuclear metal complex with the adamantane-like core [Fe<sub>4</sub>O<sub>6</sub>] in the space group <i>I</i>-43d of a cubic system. The single-crystal XRD analysis showed that the crystal contains one symmetrically independent octahedrally coordinated Fe atom in the oxidation state +3. The adamantine-like scaffold of the Fe complex is formed by hydroxy bridging oxygen atoms only. Hirshfeld surface analysis of the bridging oxygen atoms revealed two types of <i>µ</i>-OH groups, which differ in the degree of exposure and participation in long-range interactions. Additionally, the Hirshfeld surface analysis supported by the enrichment ratio calculations demonstrated the high propensity of the title complex to form C-H<sup>…</sup>Cl, C-H<sup>…</sup>F and C-H<sup>…</sup>O interactions. |
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