摘要
由1,4-对咪唑苯、2,5-二羟基对苯二甲酸与CdSO_(4)在水热条件下反应,成功合成了一个镉配合物单晶,通过红外光谱和元素分析对该配合物进行了结构表征,经X-射线单晶衍射确定了配合物的晶体结构。晶体分析结果表明,该配合物单晶属于三斜晶系、P1^(-)空间群,晶胞参数:a=7.7691(14)Å,b=9.4936(16) Å,c=11.5612(14) Å;α=80.172(12)°,β=81.632(12)°,γ=72.986(15)°,晶胞内结构分子数Z=1,最终偏差因子为R_(1)=0.0682,wR_(2)=0.2074(I>=2σ(I))。中心镉离子为六配位八面体构型,与2个1,4-对咪唑苯及4个水分子配位,2,5-二羟基对苯二甲酸未参与配位,但与配合物阳离子形成了丰富的氢键和C-H…π弱相互作用,使配合物1形成了复杂的三维超分子结构。
A Cd(Ⅱ)complex has been obtained through reaction of CdSO_(4) with 1,4-(1-imidazolyl)benzene(bib)and 2,5-dihydroxy-1,4-benzenedicarboxylic acid(hbdc)under hydrothermal conditions,and was structural characterized by elemental analysis,infrared spectroscopy and X-ray single crystal diffraction.The results of crystal data displayed that the crystal of titled compound belong to triclinic system and P1^(-)space group with cell demensions:a=7.7691(14)Å,b=9.4936(16)Å,c=11.5612(14)Å;α=80.172(12)°,β=81.632(12)°,γ=72.986(15)°,Z=1,R_(1)=0.0682,wR_(2)=0.2074(I>=2σ(I)).The Cd(Ⅱ)ion is coordinated with two bib ligands and four water moleculars,displaying a distorted octahedron coordination geometry.The ligands of hbdc did not take part in coordination with metal ions,but forming abundant hydrogen bonding and C-H…πweak interaciton with cation metal complexes,and play important roles in the generation of a 3D supramolecular structure of complex 1.
作者
翟超琦
关依迪
李虹
王克华
Zhai Chaoqi;Guan Yidi;Li Hong;Wang Kehua(Anshan Normal University,Anshan 114007,China)
出处
《山东化工》
CAS
2021年第11期18-20,共3页
Shandong Chemical Industry
基金
辽宁省大学生创新创业训练计划项目(201710169007)。
关键词
配位化合物
晶体结构
超分子结构
氢键
coordination compound
crystal structure
supramolecular structure
hydrogen bonding
C-H…πweak interaciton
