由咪唑-4,5-二羧酸和1,4-双(咪唑基-1-甲基)-苯配体构筑的一个三维镉(Ⅱ)配位聚合物的合成、晶体结构及荧光性质

Synthesis,Crystal Structure,and Luminescent Property of a New 3D Cd(Ⅱ) Coordination Polymer Constructed from Imidazole-4,5-dicarboxylic Acid and 1,4-Bis(imidazol-1-ylmethyl) benzene Ligands

以2∶2∶1物质的量比的CdCl2、H3IDC(咪唑-4,5-二羧酸)和bix(1,4-双(咪唑基-1-甲基)-苯)为原料,在水热条件下得到了1个新的三维层-柱状框架结构的配位聚合物[Cd(HIDC)(bix)0.5]n(1),并通过元素分析、红外光谱、热重分析以及单晶X-射线结构分析对其组成和结构进行了表征。单晶X-射线结构分析表明,1的晶体属于单斜晶系,P21/n空间群,a=1.15530(17)nm,b=1.05268(16)nm,c=1.198 71(18)nm,β=110.245(2)°,V=1.367 8(4)nm3,Z=4,Dc=1.873 g.cm-3,F(000)=756,对于2 000个可观测点(I>2σ(I)),最终残差因子R1=0.0336,wR2=0.0911。在1的晶体结构中,每个镉(Ⅱ)离子的配位数为6,处于扭曲的八面体配位环境中,每个HIDC2-分别桥联3个镉(Ⅱ)离子形成一种"砖墙"状的二维层结构,相邻的二维层之间通过bix的2个氮原子进一步连接形成三维层-柱状框架结构。化合物1的固体室温荧光测试结果表明,在波长为392 nm的光激发下于465 nm处出现强烈的荧光发射。

Reaction of H3IDC（H3IDC=imidazole-4,5-dicarboxylic acid）,bix（bix=1,4-bis（imidazol-1-ylmethyl）benzene） with CdCl2 under hydrothermal condition,yielded a new 3D cadmium（Ⅱ） coordination polymer [Cd（HIDC）（bix）0.5]n（1）,which was structurally characterized by elemental analysis,infrared spectroscopy,thermal gravimetric analysis,and single-crystal X-ray diffraction.X-ray diffraction crystal structural analysis reveals its crystallizes in monoclinic,space group P21/n with a=1.155 30（17） nm,b=1.052 68（16） nm,c=1.198 71（18） nm,β=110.245（2）°,V=1.367 8（4） nm3,Z=4,Dc=1.873 g·cm-3,F（000）=756,the final R1=0.033 6,and wR2=0.091 1 for 2 000 observed reflections with I2σ（I）.In 1,each Cd（Ⅱ） ion is six-coordinated with a distorted octahedral coordination geometry,and each μ3-HIDC2 acts as a bridge to bond three Cd（Ⅱ） ions,leading to an infinite 2D brickwall-like network of [Cd（μ3-HIDC）]n,which are further linked through μ2-bix to generate an infinite 3D layered-pillared framework architecture of [Cd（HIDC）（bix）0.5]n.Furthermore,the luminescent property of 1 was also investigated at room temperature in the solid state.CCDC：772779.