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Synthesis, characterization and NLO properties of a new 3D coordination polymer assembled from p-aminobenzoic acid

机译:由对氨基苯甲酸组装的新型3D配位聚合物的合成,表征和NLO性质

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Reaction of Zn(NO_3)_2·6H_2O with p-aminobenzoic acid in a 1:2 molar ratio under ethanol medium at room temperature affords a new three dimensional (3D) coordination polymer [Zn(PABA)_2] ·H_2O (1) (PABA = p-aminobenzoic acid). Single-crystal X-ray diffraction reveals that 1 crystallizes in the ortho-rhombic system, space group p2_12_12_1, a = 7.614(2), b = 11.133(3), c= 16.869(4). 1 adopts a 3D open framework with H_2O molecules in the cavities. PABA, acting as bridging ligand as well as coordinating ligand, adopts a different coordination mode to bridge Zn atoms and form the 3D supramolecular structure which is further stabilized by N-H...O, O-H...O hydrogen bonding and π-π stacking interactions. Powder second-harmonic generation (SHG) efficiency measurement with Nd: YAG laser (1064 nm) radiation shows that the SHG efficiency of 1 is equivalent to KDP crystal. The present work also demonstrates that the framework of 1 is retained after removal of the guest H_2O molecules, and the H_2O molecules can be reintroduced into the framework, indicating that this complex may also be used to generate porous materials.
机译:Zn(NO_3)_2·6H_2O与对氨基苯甲酸在乙醇介质中于室温下以1:2的摩尔比反应可得到新的三维(3D)配位聚合物[Zn(PABA)_2]·H_2O(1)( PABA =对氨基苯甲酸)。单晶X射线衍射显示1在斜方晶系中结晶,空间群p2_12_12_1,a = 7.614(2),b = 11.133(3),c = 16.869(4)。图1采用了3D开放框架,其中的空腔中有H_2O分子。作为桥连配体和配体的PABA采用不同的配位方式桥接Zn原子并形成3D超分子结构,该结构通过NH ... O,OH ... O氢键和π-π堆叠进一步稳定互动。使用Nd:YAG激光(1064 nm)辐射进行的粉末二次谐波生成(SHG)效率测量表明,SHG效率为1等效于KDP晶体。本工作还表明,在除去客体H_2O分子后保留了1的骨架,并且H_2O分子可以重新引入骨架中,表明该络合物也可用于生成多孔材料。

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