一个二维超分子化合物[Co(bbbm)(dnba)_2]的合成、结构及性质

Synthesis,crystal structure and properties of a two-dimensional supramolecular compound [Co(bbbm)( dnba)_2]

以1,4-二苯并咪唑基-丁烷(bbbm)和3,5-二硝基苯甲酸(Hdnba)为混合配体,利用水热合成方法获得了一个环状双金属Co(II)配合物:[Co(bbbm)(dnba)2],并通过元素分析、IR和单晶X-射线衍射确定了其结构.该配合物分子式为C32H24Co N8O12,三斜晶系,P1空间群,a=10.859(5),b=12.325(5),c=13.119(5),α=100.638(5)°,β=108.858(5)°,γ=92.309(5)°,Z=2,V=1623.5(12)3,Mr=771.52,Dc=1.578 g/cm3,F(000)=790,μ=0.609 mm-1,S=1.062,R=0.0423,wR=0.0967.晶体结构分析表明,配合物中的CoII与来自两个bbbm配体的两个N原子、两个dnba阴离子的单齿羧基O原子配位形成四面体配位构型.相邻的两个CoII通过两个bbbm配体连接成环状结构,相邻的双金属Co(II)配合物通过π-π堆积作用拓展成一维超分子链,该超分子链进一步通过C-H…π作用拓展成二维超分子网络.另外,还研究了该化合物的电化学和荧光性质.CCDC:1025167.

A new circular bimetallic Co（ II） complex [Co（ bbbm）（ dnba）2][bbbm =1,1-（ 1,4- butanediyl）bis-1 H- benzimidazole,Hdnba = 3,5- dinitrobenzoic acid） ]has been hydrothermally synthesized from bbbm and dnba mixed ligands,and structurally characterized by elementary analysis,IR and single crystal X- ray diffraction analysis. C32H24 Co N8O12,triclinic,P1,a =10.859（5） ,b =12. 325（5）A,c = 13. 119（5）A,α = 100. 638（ 5） °,β =1 08. 858（ 5） °,γ = 92. 309（5） °,Z = 2,V = 1623. 5（12） 3,Mr= 771. 52,Dc=1. 578 g / cm3,F（000） =790,μ =0. 609 mm- 1,S =1.062,R =0. 0423,wR = 0. 0967. Each CoIIcation is four- coordinated by two N atoms from two bbbm ligands and two monodentate O atoms from different dnba anions. Two CoIIcations are linked by two bbbm ligands to form a circular complex,which is further connected by π- π stacking interactions to generate a one- dimensional supramolecular chain. Finally,the chains are bridged by C- H…π interactions to form a two- dimensional supramolecular network. Moreover,the electrochemical and photoluminescent properties of the title compound were investigated. CCDC： 1025167.