Comparison and Relation between Crystal Structures and Magnetic Properties of Two Manganese(II) Coordination Polymers Based on (Triazol-1-yl)iso/terephthalic Acid

YAN Juan-Zhi, ZHAO Dan and LU Li-Ping*

Chin. J. Struct. Chem. 2021, 40, 1469-1474  DOI: 10.14102/j.cnki.0254-5861.2011-3186

December 15, 2021

manganese(II) complexes, (triazol-1-yl)iso/terephthalic acid, crystal structure, Hirshfeld surface, magnetic properties

ABSTRACT

One new Mn(II) coordination polymer, [Mn(Htia)2(H2O)2]n·2nH2O (1, H2tia = 4-(1,2,4-triazol- 1-yl)isophthalic acid) has been synthesized in mixed solvents under solvothermal conditions. Further characterizations including single-crystal XRD, elemental analysis, IR spectroscopy, thermogravimetric analysis and powder XRD were performed to verify the structure.  Complex 1 displays a one-dimensional (1D) chain and is similar to a reported Mn(II) complex 2 {[Mn(Htta)2(H2O)2]·2H2O}n. It crystallizes in triclinic P space group, with a = 7.5557 (3), b = 7.5974 (3), c = 11.8448 (4) Å, α = 90.088(1)°, β = 95.863(1)°, γ = 113.668(1)°, V = 618.81(4) Å3, Z = 1, Mr = 591.36 g/mol, Dc = 1.587 mg/m3, μ = 0.609 mm-1, F(000) = 303, GOOF = 1.062, the final R = 0.0359 and wR = 0.0818 for 4272 observed reflections with I > 2σ(I). Based on two similar structures, Hirshfeld surface analysis confirmed both structures are mainly stabilized by O···H/H···O and C···H/H···C hydrogen bonds. Further, weak ferromagnetic behaviors between adjacent Mn(II) ions in 1D chain are obtained.


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