Citation: Pei-Ying ZHAN, Wan-Zhong FENG, Xiu-Mei LI, Bo LIU. A New Pyridine-3, 4-dicarboxylic Acid Bridged Zinc(Ⅱ) Coordination Complex: Crystal Structure, Quantum Chemistry and Luminescence Property[J]. Chinese Journal of Structural Chemistry, ;2021, 40(8): 1039-1046. doi: 10.14102/j.cnki.0254–5861.2011–3092 shu

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

a.
Faculty of Chemistry, Tonghua Normal University, Tonghua 134002, China
b.
Faculty of Chemistry, Jilin Normal University, Siping 136000, China

Corresponding author: Xiu-Mei LI, lixm20032006@163.com Bo LIU, 112363305@qq.com
Received Date: 10 January 2021
Accepted Date: 1 March 2021

Fund Project: Jilin Science and Technology Development Program JJKH20180776KJJilin Normal University Graduate Innovation Program 201939

Figures(6)

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) Å, β = 102.071(5)°, V = 1977.1(14) Å³ and Z = 2. It features a 2D network constructed by pydc^2- 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.
- coordination polymers,
- hydrothermal synthesis,
- crystal structure,
- luminescence property,
- quantum-chemical
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