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Three-Dimensional Supramolecular Architectures with Mn^II Ions Assembled from Hydrogen Bonding Interactions: Crystal Structures and Antiferromagnetic Properties.

ABSTRACT: Two novel cocrystal Mn^II compounds were successfully synthesized. The composition of two kinds crystals correspond to [Mn(hfac)₂L^a ₂·Mn(hfac)₂L^a(H₂O)·Mn(hfac)₂(H₂O)₂] (1) and [Mn(hfac)₂L^b ₂·Mn(hfac)₂(H₂O)₂·0.5(C₆H₁₄)] (2) [L^a = 1,3-bis(1'-oxyl-3'-oxido-4',4',5',5'-tetramethyl-4,5-dihydro-1H-imidazol-2-y1)benzene; L^b = 1-(1'-oxyl-4',4',5',5'-tetramethylimidazolin-2-yl)-3-(1'-oxyl-3'-oxo-4',4',5',5'-tetramethylimidazolin-2-yl)benzene; hfac = hexafluoroacetylacetonato). Surprisingly, the compounds were not polymeric or clusters but, more interestingly, different ratio biradical-metal coordination compound cocrystals. The extensive intramolecular H-bonds are the cause of formation of the cocrystal structures by assembly in the two manganese(II) derivatives; and another factor is the halogen bonds between CF₃ of hfac groups. Furthermore, three-dimensional supramolecular architectures were formed. The magnetic susceptibility of both compounds showed strong antiferromagnetic interactions involving the coordinated radical unit and the metal and lesser contribution from ferromagnetic interactions between the radical units. For compound 1, a good fit was obtained for g _Mn = 2.08, g _rad = 2.00 (fixed), J ₁ = -294.3 cm^-1, J ₂ = 6.2 cm^-1 and J ₃ = 10.8 cm^-1. A reasonable fit for compound 2 was obtained for g _Mn = 2.04, g _rad = 2.00 (fixed), J ₁' = -273.4 cm^-1 and J ₂' = 8.6 cm^-1.

SUBMITTER: Gao YL

PROVIDER: S-EPMC8973123 | biostudies-literature | 2022 Mar

REPOSITORIES: biostudies-literature

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Three-Dimensional Supramolecular Architectures with MnII Ions Assembled from Hydrogen Bonding Interactions: Crystal Structures and Antiferromagnetic Properties.

Gao Yan-Li YL Wang Yufei Y Gao Liguo L Li Jian J Wang Yali Y Inoue Katsuya K

ACS omega 20220315 12

Two novel cocrystal MnII compounds were successfully synthesized. The composition of two kinds crystals correspond to [Mn(hfac)2La 2·Mn(hfac)2La(H2O)·Mn(hfac)2(H2O)2] (1) and [Mn(hfac)2Lb 2·Mn(hfac)2(H2O)2·0.5(C6H14)] (2) [La = 1,3-bis(1'-oxyl-3'-oxido-4',4',5',5'-tetramethyl- ...[more]

PMID: 35382344

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Project description:The oxohydroxoferrates(III) A 2[Fe2O3(OH)2] (A=K, Rb, Cs) were synthesized under hydroflux conditions. Approximately equimolar mixtures of the alkali metal hydroxides and water were reacted with Fe(NO3)3 ⋅ 9H2O at about 200 °C. The product formation depends on the hydroxide concentration, therefore also other reaction products, such as KFeO2, K2-x[Fe4O7-x(OH)x] or α-Fe2O3, are obtained. The crystal structures of the oxohydroxoferrates(III) A 2[Fe2O3(OH)2] follow the same structural principle, yet differ in their layer stacking or/and their hydrogen bonding systems depending on A and temperature. In the resulting four different orthorhombic structure types, [FeO3OH]4- tetrahedra share their oxide corners to create folded ∞ 2 [ Fe2O3(OH)2]2- layers. The terminal hydroxide ligands form hydrogen bonds between and/or within the layers. The positions of the hydrogen atoms in these networks are correlated. The A + cations are located between the folded anionic layers as well as in their trenches. Under reaction conditions, the potassium compound crystallizes in the space group Cmce (Pearson symbol oC88), showing a bimodal disorder of the hydrogen atoms in hydrogen bridges. In a virtually hysteresis-less first-order transition at 340(2) K, the structure slightly distorts into the room-temperature modification with the subgroup Pbca (oP88), and the hydrogen atoms order. The rubidium and caesium compounds are isostructural to each other but not to the potassium compound, and are always obtained as mixtures of two modifications with space groups Cmce (oC88') and Immb (oI88). Upon heating, the oxohydroxoferrates decompose into their anhydrides AFeO2 and water. The type of hydrogen bonding network influences the decomposition temperature, the structure and the morphology of the crystals. Despite the presence of iron(III), which was confirmed by 57Fe-Mössbauer spectroscopy, K2[Fe2O3(OH)2] is diamagnetic in the investigated temperature range between 1.8 and 300 K. Neutron diffraction revealed strong antiferromagnetic coupling of the magnetic moments, which are inverted in neighboring tetrahedra.

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Three-Dimensional Supramolecular Architectures with Mn^II Ions Assembled from Hydrogen Bonding Interactions: Crystal Structures and Antiferromagnetic Properties.

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Three-Dimensional Supramolecular Architectures with Mn<sup>II</sup> Ions Assembled from Hydrogen Bonding Interactions: Crystal Structures and Antiferromagnetic Properties.

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