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Syntheses, Crystal Structure, Theoretical Calculation and Photophysical Properties of one Inorganic–Organic Hybrid Frameworks Based on Mixed Ligands

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Abstract

One novel Inorganic–Organic Hybrid compound [Pb(mip)(bidc)]n (1) [mip = 2-(3-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline, bidc = 2,2′bipyridinyl-3,3′-dicarboxylic acid] has been synthesized by hydrothermal reactions and characterized by thermogravimetrianalysis, elemental analysis, infrared spectrum and single-crystal X-ray diffraction. The single-crystal X-ray diffraction results suggest that compound 1 exhibits 1D chain structure, which is constructed from N–H···O hydrogen bonds. TG analysis results suggest that compound 1 has excellent thermal stability, the reason of that may be the existence of hydrogen bonds reinforces the structural stability. It is noteworthy that the metal ions Pb (II) are located in [:PbN2O4] pentagonal bipyramidal geometry in the title compound. The theoretical calculation analysis of 1 was performed by the PBE0/LANL2DZ method in Gaussian 03 Program to elucidate the essential electronic characters. The luminescent properties for the ligand mip and compound 1 are also discussed in detail.

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Funding

The project was supported by the National Natural Science Foundation of China (Grant No. 21878120).

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Authors and Affiliations

  1. College of Computer Science, Jilin Normal University, Siping, Jilin, 136000, China

    Wei Liu

  2. College of Chemistry, Jilin Normal University, Siping, Jilin, 136000, China

    Xue Meng, Li Yan, Hui-Ying Zhang & Shi-Han Cheng

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  1. Wei Liu
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  2. Xue Meng
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  3. Li Yan
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  4. Hui-Ying Zhang
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  5. Shi-Han Cheng
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Correspondence to Wei Liu.

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Supplementary Information

Below is the link to the electronic supplementary material.

10876_2021_2167_MOESM1_ESM.pdf

Supplementary file1—CCDC 1965814 contains the supplementary crystallographic data for 1, respectively. These data can be obtained free of charge from the Cambridge Crystallographic Data Centre via www.ccdc.cam.ac.uk/data request.cif (PDF 149 kb)

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Liu, W., Meng, X., Yan, L. et al. Syntheses, Crystal Structure, Theoretical Calculation and Photophysical Properties of one Inorganic–Organic Hybrid Frameworks Based on Mixed Ligands. J Clust Sci 33, 2455–2461 (2022). https://doi.org/10.1007/s10876-021-02167-5

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  • DOI: https://doi.org/10.1007/s10876-021-02167-5

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