Crystal Structures and Photoluminescence of Two Zinc(Ⅱ) and Silver(Ⅰ) Complexes with 6,7-Dicyanodipy

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Two d10 metal-organic complexes, [ZnBr2(DICNQ)2] (1) and [AgCN(DICNQ)]2(2), were prepared from ZnBr2 and AgCN with 6,7-dicyanodipyridoquinoxaline (DICNQ) by solvothermal reactions, respectively, and characterized by single-crystal X-ray diffraction analyses, IR spectroscopy, and photoluminescent measurement. Compound 1 crystallizes in monoclinic, space group C2/c with a=8.436(2), b=13.011(3), c=27.565(6),β=97.90(3) , V=2997.0(1)3 , Z=4, Mr=789.73, Dc=1.750 g/cm3 ,μ=3.533 mm-1 , F(000)=1552, S=1.007 and T=293(2) K. The final R=0.0739 and wR=0.1380 for 1561 observed reflections with I > 2σ(I). Compound 2 crystallizes in monoclinic, space group P21/c with a=24.202(6), b=7.1619(17), c=18.339(5),β=111.8380(10) , V=2950.6(1)3 , Z=4, Mr=832.32, Dc=1.874 g/cm 3 ,μ=1.382 mm-1 , F(000)=1632, S=1.002 and T=293(2) K. The final R=0.0389 and wR=0.1257 for 4812 observed reflections with I > 2σ(I). Both compounds form packing structures by π…π stacking interactions and C-H…N or C-H…Br hydrogen-bonding interactions. Compounds 1 and 2 show similar photoluminescent spectra with emission maxima at ca. 430 nm in diluted acetonitrile solution (1×10-5 mol L-1 ) at room temperature. (DICNQ) 2] (2), were prepared from ZnBr2 and AgCN with 6,7-dicyanodipyridoquinoxaline (DICNQ) by solvothermal reactions, respectively, and characterized by single-crystal X-ray diffraction analyzes, IR spectroscopy, and photoluminescent measurement. Compound 1 crystallizes in monoclinic space group C2 / c with a = 8.436 (2), b = 13.011 (3), c = 27.565 ) , β = 97.90 (3), V = 2997.0 (1) 3, Z = 4, Mr = 789.73, Dc = 1.750 g / cm3, μ = 3.533 mm- 1.007 and T = 293 (2) K. The final R = 0.0739 and wR = 0.1380 for 1561 observed reflections with I> 2σ (I). Compound 2 crystallizes in monoclinic space group P21 / c with a = 24.202 B = 7.1619 (17), c = 18.339 (5) β, β = 111.8380 (10), V = 2950.6 (1) 3, Z = 4, Mr = 832.32, Dc = 1.874 g / cm 3, μ = 1.382 The final R = 0.0389 and wR = 0.1257 for 4812 observed reflections with I> 2σ (I). Both compounds form packing structures by π ... π stacking interactions and CH ... N or C-H ... Br hydrogen-bonding interactions. Compounds 1 and 2 show similar photoluminescent spectra with emission maxima at ca. 430 nm in diluted acetonitrile solution (1 × 10 -5 mol L -1) at room temperature.
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