以2,2′-联吡啶-4,4′-二甲酸和2-甲基吡嗪[3,2-f:2′,3′-h]喹喔啉为配体的三维锰(Ⅱ)配位聚合物的合成、晶体结构和荧光性质(英文)

Synthesis,Crystal Structures and Fluorescent Property of a 3D Manganese(Ⅱ) Coordination Polymer with 2,2′-Bipyridine-4,4′-dicarboxylic Acid and 2-Methyldipyrido[3,2-f:2′,3′-h]quinoxaline

采用水热法合成了一个锰的配合物[Mn(bpydc)(Medpq)]n(1)(H2bpydc=2,2′-联吡啶-4,4′-二甲酸,Medpq=2-甲基吡嗪[3,2-f:2′,3′-h]喹喔啉),并利用元素分析、红外光谱、紫外可见光谱、热分析和X-射线单晶衍射对其结构进行了表征。单晶结构分析表明配合物1属于单斜晶系,Cc空间群,晶胞参数a=2.031 6(4)nm,b=1.564 5(3)nm,c=0.719 26(14)nm,β=103.97(3)°,V=2.218 5(8)nm3,Z=4。配合物1是一个锰(Ⅱ)离子经由bpydc2-连接形成的三维网络结构。配合物1的固体荧光光谱表明它具有很强的荧光性。应用Gaussian 03W程序,在HF/LANL2DZ水平上对标题化合物的自然键轨道(NBO)进行了分析,结果表明Mn(Ⅱ)与配位原子间的价键类型都属于共价键范畴。

A coordination polymer [Mn（bpydc）（Medpq）]n （1） （H2bpydc =2,2＇-bipyridine-4,4＇-dicarboxylic acid,Medpq =2-methyldipyrido [3,2-f：2＇,3＇-h]quinoxaline） has been hydrothermally synthesized and structurally characterized by elemental analysis,FT-IR spectrum,UV-Vis spectrum,TG and single-crystal X-ray diffraction.Complex 1 crystallizes in monoclinic system,space group Cc with a=2.031 6（4） nm,b =1.564 5（3） nm,c =0.719 26（14） nm,β=103.97（3）°,V=2.218 5（8） nm3,Z=4.The crystal structure of the complex is a 3D network of hexacoordinate Mn2＋ ions,in which Mn2＋ions are bridged by bpydc2-ligands and decorated by Medpq ligands.Furthermore,the complex 1 indicates intense fluorescence in the solid state at room temperature.Natural bond orbital （NBO） analysis is performed by using the NBO method built in Gaussian 03 Program.The calculation results show a covalent interaction between the coordinated atoms and Mn2＋ ions.CCDC：875842.