Syntheses, Crystal Structures, DFT Calculation and Optical Properties of a Schiff Base and Its Dinuc

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A pyridine-contained Schiff base ligand L(L =(pyridine-2-vinyl)hydrazine) has been synthesized and fully characterized. By self-assembly of the ligand with HgI_2, a binuclear complex Hg_2I_4L(C) was obtained. The structures of L and C were analyzed through single-crystal X-ray diffraction. L crystallizes in monoclinic, space group P21/n with a=11.286(5), b=3.981(5), c=23.865(5) ?, β=100.043(5)°, V=1056(1) ?~3, Z=4, Dc=1.323 g/m~3, F(000)=440, Μr=210.24, μ=0.084 mm~(-1), the final R=0.0928 and w R=0.2867 for 6955 observed reflections with I > 2(I). The complex is of monoclinic system, space group P21/n with a=8.706(5), b=17.468(5), c=14.675(5) ?, β=93.922(5)°, V=2227(2) ?~3, Z=4, Dc=3.338 g/m~3, F(000)=1928, Μr=1119.02, μ=19.321 mm~(-1), the final R=0.0366 and w R=0.1276 for 3920 observed reflections with I > 2(I). The structural analysis revealed that the molecule of L possesses a well planar structure. However, in the complex, the coordinated ligand distorts greatly. The absorption spectra of L and the complex in ethanol were experimentally and theoretically studied. The result indicates that the complex exhibits different absorption spectrum compared with the free ligand. A pyridine-contained Schiff base ligand L (L = (pyridine-2-vinyl) hydrazine) has been synthesized and fully characterized. By self-assembly of the ligand with HgI_2, a binuclear complex Hg_2I_4L (C) was obtained. The structures of L crystallized in monoclinic, space group P21 / n with a = 11.286 (5), b = 3.981 (5), c = 23.865 (5) °, V = 1056 (1)? ~ 3, Z = 4, Dc = 1.323 g / m 3, F000 = 440, Mr = 210.24 and μ = 0.084 mm -1 final R = 0.0928 and w R = 0.2867 for 6955 observed reflections with I> 2 (I). The complex is of monoclinic system, space group P21 / n with a = 8.706 (5), b = 17.468 (5), c = 14.675 (5)?,? = 93.922 (5) °, V = 2227 (2)? -3, Z = 4, Dc = 3.338 g / m 3, F (000) = 1928, 19.321 mm -1, the final R = 0.0366 and w R = 0.1276 for 3920 observed reflections with I> 2 (I). The structural analysis revealed that the molecule of L possesses a well planar structure. However, in the complex , the coordinated ligand distorts greatly. The absor ption spectra of L and the complex in ethanol were experimentally and theoretically studied. The result indicates that the complex exhibits different absorption spectrum compared with the free ligand.
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