A New Pyridine-3,4-dicarboxylic Acid Bridged Zinc(Ⅱ) Coordination Complex: Crystal Structure,Quantum Chemistry and Luminescence Property  

作　　者：ZHAN Pei-Ying FENG Wan-Zhong LI Xiu-Mei LIU Bo 战佩英;冯万忠;李秀梅;刘博(Faculty of Chemistry,Tonghua Normal University,Tonghua 134002,China;Faculty of Chemistry,Jilin Normal University,Siping 136000,China)

机构地区：[1]Faculty of Chemistry,Tonghua Normal University,Tonghua 134002,China [2]Faculty of Chemistry,Jilin Normal University,Siping 136000,China

出　　处：《Chinese Journal of Structural Chemistry》2021年第8期1039-1046,969,共9页结构化学（英文）

基　　金：supported by Jilin Science and Technology Development Program(JJKH20180776KJ);Jilin Normal University Graduate Innovation Program(201939)。

摘　　要：A new 2D metal coordination polymer,[Zn(pydc)(L)(H_(2)O)]n·5nH_(2)O(1,H2pydc=pyridine-3,4-dicarboxylic acid,L=3-(2-pyridyl)pyrazole),was synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction,powder XRD,FT-IR,thermogravimetric,fluorescence spectrum and elemental analysis techniques.Complex 1 belongs to the monoclinic system,P21/c space group,with a=10.707(5),b=14.221(5),c=13.278(5)A,β=102.071(5)°,V=1977.1(14)A^(3) and Z=2.It features a 2D network constructed by pydc2-and L ligand.In addition,the quantum-chemical calculations were accomplished on‘molecular fragments’extracted from the crystal structure of 1 using the PBE0/LANL2DZ method built in Gaussian 16 Program.The calculation values denoted the distinct covalent interaction between the coordinated atoms and Zn(Ⅱ)ion.

关 键 词：coordination polymers hydrothermal synthesis crystal structure luminescence property quantum-chemical 

分 类 号：O641.4[理学—物理化学]