Synthesis,Structure and Luminescent Properties of Zn(btzb)2Cl2·2H2Obtzb=1,2-Bis(5-tetrazolyl)benzene

摘要

cqvip:The title compound [Zn(btzb)2Cl2]·2H2O (1·2H2O, btzb=1,2-bis(5-tetrazolyl)benzene) was synthesized in situ by the [2+3] cycloaddition reaction of phthalonitrile with NaN3 in water in the presence of ZnCl2 under refluxing conditions. 1·2H2O crystallizes in the monoclinic system, space group P21/c with a=9.0119(18), b=7.5566(15), c=18.076(5), β=114.67(2)o, V= 1118.6(4)3, Z=2, Dc=1.784 g/cm3, T=223(2) K, C16H16N16O2Cl2Zn, Mr=600.74, F(000)=608, μ(MoKα)=1.393 mm-1, S=1.081, R=0.0306 and wR=0.0669 for 1896 observed reflections with I > 2σ(I). The Zn2+ ion of 1 is coordinated by four N atoms from two btzb ligands and two Cl atoms, forming a distorted octahedral coordination geometry. A number of intermolecular hydrogen bon-ding interactions between molecules 1 and/or the solvated water molecules result in a 3D hydrogen-bonded structure. The luminescent property of 1·2H2O was also investigated.