Citation: LI Xiu-Mei, PAN Ya-Ru, LIU Bo, ZHOU Shi, CHANG Ying-Fei. Syntheses, Crystal Structures and Theoretical Calculations of Cadmium/Zinc Supramolecular Coordination Compounds[J]. Chinese Journal of Inorganic Chemistry, ;2018, 34(10): 1923-1928. doi: 10.11862/CJIC.2018.225 shu

Syntheses, Crystal Structures and Theoretical Calculations of Cadmium/Zinc Supramolecular Coordination Compounds

LI Xiu-Mei ^1,, ,
PAN Ya-Ru ¹ ,
LIU Bo ^2,, ,
ZHOU Shi ² ,
CHANG Ying-Fei ³

1.
Faculty of Chemistry, Tonghua Normal University, Tonghua, Jilin 134002, China
2.
Key Laboratory of Preparation and Applications of Environmental Friendly Materials(Ministry of Education), Jilin Normal University, Siping, Jilin 136000, China
3.
Faculty of Chemistry, Northeast Normal University, Changchun 130024, China

Corresponding author: LI Xiu-Mei, lixm20032006@163.com LIU Bo, 112363305@qq.com
Received Date: 27 May 2018
Revised Date: 29 June 2018

Figures(6)

Two new metal-organic supramolecular coordination compounds[Cd(cba)₂(bix)]₂ (1) and[Zn(cba)₂(bix)]₂ (2) (Hcba=2-chlorinebenzoic acid, bix=1, 4-bis(imidazol-1-ylmethyl) benzene) have been hydrothermally synthesized and structurally characterized by elemental analysis, IR spectrum, TG, fluorescence spectrum, single-crystal and powder X-ray diffraction. Complexes 1 and 2 are isomorphism, and all exhibit zero-dimensional framework and display three-dimensional supramolecular network via π-π stacking interactions. In addition, natural bond orbital (NBO) of 1 were analyzed by using the PBE0/LANL2DZ method built in Gaussian09 program. The calculation results showed the obvious covalent interaction between the coordinated atoms and Cd(Ⅱ) ion.
- hydrothermal synthesis,
- crystal structure,
- cadmium complex,
- zinc complex,
- natural bond orbital
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