一种新的三维(3D)配位聚合物,即,聚[diaqua[μ5-2,2'-(1,3,5,7-四氧-1,2,3,5,6,7-六氢吡咯并[3,4-f]异吲哚-2,6-二基)二乙酸根]钡(II)],[Ba(C14H6N2O8)(H2O)2]n,(I),已通过Ba(NO3)2与N的微波辐照反应合成,N'-双(甘氨酰)均苯四甲酸二酰亚胺{BGPD,即,2,2'-(1,3,5,7-四氧-1,2,3,5,6,7-六氢吡咯并[3,4-f]异吲哚-2,6-二基)二乙酸,H2L}。通过单晶X射线衍射分析和粉末X射线衍射分析对标题化合物进行了结构表征,以及红外光谱。在(I)的晶体结构中,BaII离子由来自五个对称相关的L2-二阴离子和一个酰亚胺O原子的六个羧酸盐O原子进行九配位,还有两个水O原子。中心BaII离子的配位几何形状可以描述为球形盖方形反棱镜。配体的一个羧酸酯基团充当将BaII阳离子连接到一维多核二级结构单元(SBU)中的μ3桥。配体的另一个羧酸酯基团充当连接1DSBU的μ2桥,从而形成二维(2D)SBU。所得2DSBU经由配体的均苯四甲酸二酰亚胺部分作为间隔基延伸到3D框架中。3DBa框架可以简化为5连接的六方氮化硼网(bnn)拓扑。通过Hirshfeld表面分析进一步研究了3D框架中的分子间相互作用,结果表明,主要的相互作用是H。.O(45.1%),巴。..O(11.1%)和C。.H(11.1%),还有H...H(11.1%)触点。热稳定性,还研究了(I)的光致发光特性和紫外-可见吸收光谱。该配位聚合物表现出具有0.071量子产率和高热稳定性的荧光发射。
A new three-dimensional (3D) coordination polymer, namely, poly[diaqua[μ5-2,2\'-(1,3,5,7-tetraoxo-1,2,3,5,6,7-hexahydropyrrolo[3,4-f]isoindole-2,6-diyl)diacetato]barium(II)], [Ba(C14H6N2O8)(H2O)2]n, (I), has been synthesized by the microwave-irradiated reaction of Ba(NO3)2 with N,N\'-bis(glycinyl)pyromellitic diimide {BGPD, namely, 2,2\'-(1,3,5,7-tetraoxo-1,2,3,5,6,7-hexahydropyrrolo[3,4-f]isoindole-2,6-diyl)diacetatic acid, H2L}. The title compound was structurally characterized by single-crystal X-ray diffraction analysis and powder X-ray diffraction analysis, as well as IR spectroscopy. In the crystal structure of (I), the BaII ion is nine-coordinated by six carboxylate O atoms from five symmetry-related L2- dianions and one imide O atom, as well as two water O atoms. The coordination geometry of the central BaII ion can be described as a spherical capped square antiprism. One carboxylate group of the ligand serves as a μ3-bridge linking the BaII cations into a one-dimensional polynuclear secondary building unit (SBU). Another carboxylate group of the ligand acts as a μ2-bridge connecting the 1D SBUs, thereby forming a two-dimensional (2D) SBU. The resulting 2D SBUs are extended into a 3D framework via the pyromellitic diimide moiety of the ligand as a spacer. The 3D Ba framework can be simplified as a 5-connected hexagonal boron nitride net (bnn) topology. The intermolecular interactions in the 3D framework were further investigated by Hirshfeld surface analysis and the results show that the prominent interactions are H...O (45.1%), Ba...O (11.1%) and C...H (11.1%), as well as H...H (11.1%) contacts. The thermal stability, photoluminescence properties and UV-Vis absorption spectra of (I) were also investigated. The coordination polymer exhibits a fluorescence emission with a quantum yield of 0.071 and high thermal stability.