利用2,2′-氧基双(苯甲酸)和含N配体构筑的三个配合物的合成、结构与荧光性能  

Three Complexes Constructed Using 2,2′⁃Oxybis(benzoic acid)and N⁃Donor Ligands:Syntheses,Structures and Fluorescent Properties

作　　者：唐龙 付宇豪 王一彤 王欢欢 王记江 侯向阳 王潇 TANG Long;FU Yu-Hao;WANG Yi-Tong;WANG Huan-Huan;WANG Ji-Jiang;HOU Xiang-Yang;WANG Xiao(Yan′an University Key Laboratory of New Energy&New Functional Materials,Shaanxi Key Laboratory of Chemical Reaction Engineering,College of Chemistry and Chemical Engineering,Yan′an University,Yan′an,Shaanxi 716000,China)

机构地区：[1]延安大学新能源与新功能材料重点实验室,延安大学化学与化学工程学院,陕西化学反应工程重点实验室,延安716000

出　　处：《无机化学学报》2020年第8期1550-1556,共7页Chinese Journal of Inorganic Chemistry

基　　金：国家自然科学基金(No.21573189,21503183,21663031,21763028);陕西省大学生创新训练计划项目资助。

摘　　要：采用水热法合成了3种新的配合物[Zn(2,2’-oba)(bipy)2]·2H2O(1)、[Pb(2,2’-oba)(phen)]n(2)和{[Pb(2,2’-oba)(bimbp)]·H2O}n(3)(2,2’-H2oba=2,2’-氧基双(苯甲酸),bipy=2,2’-联吡啶,phen=1,10-菲咯啉,bimbp=4,4’-双(咪唑基)联苯),并用X射线单晶衍射、热重分析、红外光谱和元素分析等手段对其进行了表征。配合物1是一个零维结构,通过芳香环π-π堆积作用和强的分子间O-H…O氢键扩展为二维超分子结构。配合物2展现为一维链状结构,通过芳香环π-π堆积作用扩展为二维层状结构。配合物3呈现了一维双链结构,通过强的分子间O-H…O氢键产生了一个二维超分子结构。此外,对配合物1~3的固态荧光性质进行了研究。根据配合物1的晶体结构,利用TDDFT方法对配合物1的光致发光性能进行了理论计算,计算结果与实验数据吻合较好。Three new complexes[Zn(2,2’-oba)(bipy)2]·2H2O(1),[Pb(2,2’-oba)(phen)]n(2)and{[Pb(2,2’-oba(bimbp)]·H2O}n(3)(2,2’-H2oba=2,2’-oxybis(benzoic acid),bipy=2,2’-bipyridine,phen=1,10-phenanthroline,bimbp=4,4’-bis(imidazolyl)biphenyl)were synthesized by hydrothermal reactions and characterized by single-crystal X-ray diffraction,thermogravimetric analyses,IR spectroscopy and elemental analysis.Complex1is a 0D structure which is extended to a 2D supramolecular framework through aromaticπ-πstacking interactions and strong inter-molecular O-H…O hydrogen bonds.Complex2shows a 1D chain structure,which is expanded to a 2D layer struc-ture through aromaticπ-πstacking interactions.Complex3appears a 1D double chain structure,which is further extended to a 2D supramolecular framework through strong intermolecular O-H…O hydrogen bonds.Moreover,the solid-state fluorescent properties of1~3have also been investigated.According to the crystal structures,the TDDFT/6-31G(d)approach was applied to study the photoluminescence emission of1,and the calculated results are in good agreement with the experimental results.CCDC:1973760,1;1973771,2;1973772,3.

关 键 词：配合物 晶体结构 荧光性质 DFT研究 

分 类 号：O614.241[理学—无机化学] O614.433[理学—化学]