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Two Cadmium(II) Complexes Constructed by 2-(3-(Pyridin-2-yl)-1H-pyrazol-1-yl)benzoate: Crystal Structures, Luminescent Properties and Hirshfeld Surface Analyses

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Abstract

Two cadmium(II) complexes based on 2-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)benzoate with chemical formulas of [Cd2(ppb)4(H2O)2]·8H2O (1) and [Cd(Hppb)I2]n (2) (Hppb = 2-(3-(pyridin-2-yl)-1H-pyrazol-1-yl)benzoic acid), have been synthesized. Both complexes are well characterized by IR, TGA and X-ray single-crystal as well as powder diffraction. Structural analyses reveal that 1 is a binuclear complex and 2 has one-dimensional polymers, respectively, in which they are expanded to three-dimensional supramolecular structures by hydrogen bonds. The Cd(II) coordinated environments in 1 are slightly distorted octahedral geometries, but central atoms in 2 display distorted square pyramidal geometries. There are obvious differences in ligation modes of the ppb− or Hppb ligands for both complexes. In 1, four ppb− ligands are divided into two groups, displaying µ1-kN, N′ and µ2-kN, N′: kO coordination modes. Two ppb− ligands act as two µ1,6-bridges linking the binuclear Cd(II) cations with a distance of 6.282(2) Å. In 2 the neutral Hppb ligands exhibit a µ2-kN, N′: kO coordination mode, and connecting Cd(II) ions by µ1,6-bridges and forming an infinite 1D chain along b axis. Hirshfeld surfaces and fingerprint plots analyses indicate that weak interactions of C–H···π, π···π, O–H···O or O–H···I play important roles in crystal packings of 1 and 2. Luminescent measurements in solid-state show their different intensities in the luminescences of 1 and 2.

Graphical Abstract

A binuclear complex [Cd2(ppb)4(H2O)2]·8H2O (1) and a one-dimensional complex [Cd(Hppb)I2]n (2) were synthesized and characterized by X-ray crystal diffraction. Investigation of solid-state luminescence properties indicates the blue shifts of the emission λmax of complexes.

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Acknowledgements

The authors thank Dr Zeng-Qiang Gao at line 3W1A of BSRF for his help with the single-crystal X-ray diffraction data collection and reduction, and acknowledge the financial support by the Natural Science Foundation of China (Grant Nos 21571118 and 21671124). A portion of this work was performed on the Scientific Instrument Center of Shanxi University of China.

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Authors and Affiliations

  1. Institute of Molecular Science, Key Laboratory of Chemical Biology and Molecular Engineering of the Education Ministry, Shanxi University, Taiyuan, 030006, Shanxi, People’s Republic of China

    Li-Yang Zhang, Li-Ping Lu & Miao-Li Zhu

  2. School of Chemistry and Environmental Engineering, Shanxi Datong University, Datong, 037009, Shanxi, People’s Republic of China

    Li-Yang Zhang

  3. Key Laboratory of Materials for Energy Conversion and Storage of Shanxi Province, Institute of Molecular Science, Shanxi University, Taiyuan, 030006, Shanxi, People’s Republic of China

    Miao-Li Zhu

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  1. Li-Yang Zhang
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Correspondence to Li-Ping Lu or Miao-Li Zhu.

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Zhang, LY., Lu, LP. & Zhu, ML. Two Cadmium(II) Complexes Constructed by 2-(3-(Pyridin-2-yl)-1H-pyrazol-1-yl)benzoate: Crystal Structures, Luminescent Properties and Hirshfeld Surface Analyses. J Chem Crystallogr 50, 122–132 (2020). https://doi.org/10.1007/s10870-019-00781-w

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  • DOI: https://doi.org/10.1007/s10870-019-00781-w

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