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| Syntheses, Crystal Structures and Theoretical Calculations of Cadmium/Zinc Supramolecular Coordination Compounds |
| Author Name | Affiliation | E-mail | | LI Xiu-Mei | Faculty of Chemistry, Tonghua Normal University, Tonghua, Jilin 134002, China | lixm20032006@163.com | | PAN Ya-Ru | Faculty of Chemistry, Tonghua Normal University, Tonghua, Jilin 134002, China | | | LIU Bo | Key Laboratory of Preparation and Applications of Environmental Friendly Materials(Ministry of Education), Jilin Normal University, Siping, Jilin 136000, China | 112363305@qq.com | | ZHOU Shi | Key Laboratory of Preparation and Applications of Environmental Friendly Materials(Ministry of Education), Jilin Normal University, Siping, Jilin 136000, China | | | CHANG Ying-Fei | Faculty of Chemistry, Northeast Normal University, Changchun 130024, China | |
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| Abstract: 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. |
| Keywords: hydrothermal synthesis crystal structure cadmium complex zinc complex natural bond orbital |
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| 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. |
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