Hydrogen-Bonded Supramolecular Architectures Based on Tris(Hydranilato)Metallate(III) (M = Fe, Cr) Metallotectons

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• 作者：Matteo Atzori ; Luciano Marchi貌 ; Rodolphe Cl茅rac ; Angela Serpe ; Paola Deplano ; Narcis Avarvari ; Maria Laura Mercuri
• 刊名：Crystal Growth & Design
• 出版年：2014
• 出版时间：November 5, 2014
• 年：2014
• 卷：14
• 期：11
• 页码：5938-5948
• 全文大小：662K
• ISSN：1528-7505

文摘

Here we report on the synthesis and characterization of two isostructural mononuclear complexes of formula [(Ph)₄P]₃[M(H₂An)₃]路6H₂O (M = Fe(III) (1) or Cr(III) (2); H₂An = H₂C₆O₄^{2鈥?/sup> = dianion of 3,6-dihydroxy-1,4-benzoquinone (DHBQ)) as suitable metallotectons for the preparation of H-bonded supramolecular architectures. The crystal structure of 1 consists of homoleptic tris-chelated octahedral complex anions [Fe(H₂An)₃]3鈥?/sup> surrounded by crystallization water molecules and (Ph)₄P+ cations. The metal complexes are involved in an extensive network of moderately strong hydrogen bonds (HBs) between the peripheral oxygen atoms of the ligand and crystallization water molecules. These interactions are responsible for the formation of supramolecular layers that run parallel to the a crystallographic axis, showing an unprecedented H-bonded 2D architecture in the family of the anilato-based H-bonded networks. The supramolecular interactions present in the structure were investigated analyzing the properties of the Hirshfeld surface (HS), which points out the crucial role of the HBs in the construction of the overall supramolecular architecture, whereas the electronic properties of the metal complex were studied by means of DFT calculations. The magnetic susceptibility measurements reveal the expected paramagnetism of the two compounds with quasi-isolated spin centers.}