基于吡嗪羧酸配体的Zn(II)配合物的合成、 晶体结构及荧光性能研究.

A zinc complex [Zn2 (Hbppc)(bppc)Cl3]·0. 5H2 O was synthesized under hydrothermal conditions using 4-(2,6-di(pyrazin-2-yl)pyridine-4-yl)-benzoic acid (Hbppc) as ligand and ZnCl2 as metal source. The complex was characterized by SXRD, PXRD, IR, FT-IR, etc. X-ray single crystal diffraction shows that the complex crystallized in the orthorhombic, Pbca space group, with a zero-dimensional structure. Moreover, the complex has a two-nuclear structure, and the binuclear units are further connected by hydrogen bonds to form 2D supramolecular network structure. Hirshfeld surface analysis of the complex was performed by Crystal Explorer 21. In addition, fluorescence analysis of ligands and the complex were performed, and the results show that the fluorescence of the complex is significantly enhanced compared with that of the free ligand. Gaussianview 5. 0 and Gaussian 09W were used to calculate the frontier molecular orbital energy of ligand and complex, and to explore the mechanism of fluorescence enhancement. [ABSTRACT FROM AUTHOR]