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
• 来源期刊: 结构化学
• 年，卷（期）: 2021,（8）
• 所属期刊栏目: coordination chemistry
• 页码范围: 1039-1046
• 页数: 8页
• 语种: 英文
• DOI: 10.14102/j.cnki.0254-5861.2011-3092

摘要

A new 2D metal coordination polymer,[Zn(pydc)(L)(H2O)]n·5nH2O(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)?,β = 102.071(5)°,V= 1977.1(14)?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.