Ding Xin Yu, Yu Hai Yan, Zhang Hong Tao, Wang Xiao Long
College of Chemistry and Materials Science, Anhui Normal University, Wuhu, Anhui 241000, People's Republic of China.
Acta Crystallogr C Struct Chem. 2024 Oct 1;80(Pt 10):648-657. doi: 10.1107/S2053229624008544. Epub 2024 Sep 4.
A new three-dimensional (3D) coordination polymer, namely, poly[diaqua[μ-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(CHNO)(HO)], (I), has been synthesized by the microwave-irradiated reaction of Ba(NO) 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, HL}. 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 Ba ion is nine-coordinated by six carboxylate O atoms from five symmetry-related L dianions and one imide O atom, as well as two water O atoms. The coordination geometry of the central Ba ion can be described as a spherical capped square antiprism. One carboxylate group of the ligand serves as a μ-bridge linking the Ba cations into a one-dimensional polynuclear secondary building unit (SBU). Another carboxylate group of the ligand acts as a μ-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.
一种新型的三维(3D)配位聚合物,即聚[二水合[μ - 2,2' -(1,3,5,7 - 四氧代 - 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(CHNO)(HO)],(I),通过硝酸钡与N,N' - 双(甘氨酰基)均苯四甲酸二酰亚胺{BGPD,即2,2' -(1,3,5,7 - 四氧代 - 1,2,3,5,6,7 - 六氢吡咯并[3,4 - f]异吲哚 - 2,6 - 二基)二乙酸,HL}的微波辐射反应合成。通过单晶X射线衍射分析、粉末X射线衍射分析以及红外光谱对标题化合物进行了结构表征。在(I)的晶体结构中,Ba离子由来自五个对称相关的L二价阴离子的六个羧酸根O原子、一个酰亚胺O原子以及两个水O原子九配位。中心Ba离子的配位几何形状可描述为一个球形盖帽的四方反棱柱。配体的一个羧酸根基团作为μ - 桥将Ba阳离子连接成一维多核二级结构单元(SBU)。配体的另一个羧酸根基团作为μ - 桥连接一维SBU,从而形成二维(2D)SBU。所得的二维SBU通过配体的均苯四甲酸二酰亚胺部分作为间隔基扩展成三维框架。三维Ba框架可简化为5 - 连接的六方氮化硼网(bnn)拓扑结构。通过 Hirshfeld表面分析进一步研究了三维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%)、Ba...O(11.1%)和C...H(11.1%),以及H...H(11.1%)接触。还研究了(I)的热稳定性、光致发光性质和紫外 - 可见吸收光谱。该配位聚合物表现出量子产率为0.071的荧光发射和高热稳定性。