一维链状镉配位聚合物[CdCl_2(C_3H_4N_2)]_n的合成、结构及荧光性能

Synthesis,structure and photoluminescent properties of 1D chain cadmium coordination polymer [CdCl_2(C_3H_4N_2)]_n

合成了一个新的镉配合物[CdCl2(C3H4N2)]n(C3H4N2=吡唑),并对其进行了元素分析、IR、TG、PL和单晶X射线的结构表征。配合物晶体属单斜晶系,空间群为C 2/c,晶胞参数为a=1.832 3(4)nm,b=0.386 54(8)nm,c=1.396 4(3)nm,β=95.60(3)°。V=0.984 3(3)nm3,Z=4,Mr=319.46,Dc=2.156 g.cm-3,μ=2.718 mm-1,F(000)=616,最终R=0.021 7,wR=0.050 6。镉(II)原子分别与两个不同吡唑分子中的氮原子和四个氯原子配位,且形成了六配位的八面体配位构型。该配合物晶体在分子间氢键的作用下,在bc平面建构了二维超分子网络结构。

cadmium coordination polymer, [CdCl2（C3H4N2）]n （ C3H4N2 = pyrazole） was synthesized and characterized by the element analysis, IR, TG, PL and single crystal X - ray diffraction. The title complex crystallizes in monoclinic system with space group C 2/c, a=1.832 3（4）nm,b=0.386 54（8）nm,c=1.396 4（3）nm,β=95.60（3）°.V=0.984 3（3）nm3,Z=4, R =0. 021 7, wR =0. 050 6. Each Cd（Ⅱ） atom is six -coordinated by four Cl atoms and two different pyrazole N atoms, and displays a octahedral coordination geometry. Two adjacent Cd（Ⅱ） atoms are bridged by two symmetry- related μ2 -Cl atoms, constructing a one -dimensional chain structure along b axis, with the adjacent Cd…Cd distances being 0. 386 5 （2） nm. In addition, there are π -π stacking interactions between the two adjacent parallel pyrazole molecules with the distances of 0. 386 5 （2） nm. A 2D 44 supramolecular layer structure is constructed by N -H…Cl intermolecular hydrogen bonds in bc plane. The strong fluorescent emission occurs in 423 nm in the solid - state at room temperature.