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A new luminescent compound, Zn(8-aminoql)2(SCN)2 (1, 8-aminoql = 8-amino quinoline), has been synthesized and its structure was characterized by IR, elemental analysis and X-ray single-crystal diffraction. Compound 1 belongs to the orthorhombic system, space group Pbca with a = 8.503(2), b = 14.427(4), c = 31.922(8), V = 3916.0(18)3 , Z = 8, C20H16N6S2Zn, Mr = 469.88, D c = 1.594 Mg/m3 , μ = 1.488 mm-1 , F(000) = 1920, T = 296(2) K, the final R = 0.0293 and wR = 0.0645 for all 2763 observed reflections (Ⅰ > 2σ(Ⅰ)). Compound 1 displays a 3D supramolecular architecture formed by N H···S hydrogen bonds and π···π aromatic packing interactions. Photoluminescence studies reveal that it displays obvious fluorescent emission band (λ ex = 320 nm) at 533 nm in the solid state at room temperature. The emission bands possess a broad asymmetric feature, which can be assigned to ligand-to-ligand charge transfer transitions based on DFT calculations.
A new luminescent compound, Zn (8-aminoql) 2 (SCN) 2, has been synthesized and its structure was characterized by IR, elemental analysis and X- ray single-crystal diffraction . Compound 1 belongs to the orthorhombic system space group Pbca with a = 8.503 (2), b = 14.427 (4), c = 31.922 (8) , V = 3916.0 183, Z = 8, C20H16N6S2Zn, Mr = 469.88, D c = 1.594 Mg / m3, μ = 1.488 mm-1, F (000) = 1920, T = 296 (2) K, the final R = 0.0293 and wR = 0.0645 for all 2763 observed reflections > 2σ (Ⅰ)). Compound 1 displays a 3D supramolecular architecture formed by NH ··· S hydrogen bonds and π · π aromatic packing interactions. Photoluminescence studies reveal that it displays obvious fluorescent emission band (λ ex = 320 nm) at 533 nm in the solid state at room temperature. The emission bands possess a broad asymmetric feature, which can be assigned to ligand-to-ligand charge transfer transitions based on DFT calculations.