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Synthesis, Crystal Structure and Theoretical Calculations of Two Zinc, Cobalt Coordination Polymers with 5-Nitroisophthalic Acid and 1,4-Bis(1H-benzimidazolyl)butane Ligands

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Abstract

Two new complexes [Zn(NIPH)(bbib)]2n·nbbib·nH2O (1) and [Co(NIPH)(bbib)]n (2) (H2NIPH = 5-nitroisophthalic acid, bbib = 1,4-bis(1H-benzimidazolyl)butane) have been hydrothermally synthesized and structurally characterized by elemental analysis, IR spectroscopy, TG, fluorescence spectroscopy, single-crystal and powder X-ray diffraction. Complex 1 exhibits a two-dimensional network structure and complex 2 shows a three-dimensional framework, which were further extended into three-dimensional supramolecular structure through hydrogen bonds and π–π stacking interactions. Moreover, we analyzed the natural bond orbital using the PBE0/LANL2DZ method in the Gaussian 03 program of complex 1 and 2. The calculation results indicated the obvious covalent interactions between the coordinated atoms and the ZnII, CoII ion respectively.

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Acknowledgements

This work was supported by the Science and Technology Development Project of Jilin Provincial Science & Technology Department (201205080) and the Science and Technology Research Projects of the Education Department of Jilin Province (2013.384). Program supports from State Key Laboratory of Theoretical and Computational Chemistry of Tonghua Normal University are gratefully acknowledged.

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Authors and Affiliations

  1. Faculty of Chemistry, Tonghua Normal University, Tonghua, 134002, People’s Republic of China

    Xiu-Mei Li, Zhi-Tao Wang & Ya-Ru Pan

  2. Key Laboratory of Preparation and Applications of Environmental Friendly Materials, Ministry of Education, Jilin Normal University, Siping, 136000, People’s Republic of China

    Qing-Wei Wang & Bo Liu

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  1. Xiu-Mei Li
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  2. Zhi-Tao Wang
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  3. Ya-Ru Pan
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  4. Qing-Wei Wang
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Correspondence to Qing-Wei Wang.

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Li, XM., Wang, ZT., Pan, YR. et al. Synthesis, Crystal Structure and Theoretical Calculations of Two Zinc, Cobalt Coordination Polymers with 5-Nitroisophthalic Acid and 1,4-Bis(1H-benzimidazolyl)butane Ligands. J Inorg Organomet Polym 28, 258–267 (2018). https://doi.org/10.1007/s10904-017-0738-y

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  • DOI: https://doi.org/10.1007/s10904-017-0738-y

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