Starting with 1H-3-phenyl-5-(pyridin-2-yl)-1,2,4-triazole (1-Hppt), a Co(III) complex, [Co(ppt) 3 ] (1), has been synthesized by reaction with CoF 3 under hydrothermal conditions and characterized by its infrared spectrum and elemental analysis. The structure was determined by single-crystal and powder X-ray diffraction. Density functional theory (DFT) was employed to determine the optimized geometry and preferred conformation of the free ligand. A supramolecular network is formed via π-π stacking interactions. The conformation and geometry of the ligands correspond with the calculated results.
A new Co(II)-based compound with 3-phenyl-5-(pyridin-4-yl)-1,2,4-triazole (4-Hppt) and isophthalic acid (H 2 ip) mixed ligand, [Co(4-Hppt) 2 (ip)] (1), has been synthesized, and structurally and magnetically characterized. The structure of compound 1 consists of one-dimensional (1D) coordination chains based on the Co 2 units bridged by dual carboxylate groups, where the pyridyl N atoms in 4-Hppt ligands are located in the axial coordination sites of the octahedral Co(II) nodes. Magnetic investigation suggests that the magnetic coupling derived from the dinuclear Co(II) ions is moderately antiferromagnetic exchange in the title compound. Moreover, DFT calculations have been performed on the compound to offer a qualitatively theoretical explanation of the magnetic behavior.
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