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Analysis of Molecular Properties of a Biologically Active Heterotetranuclear [\({\text{Zn}}_{2}^{{{\text{II}}}}\)–\({\text{Eu}}_{2}^{{{\text{III}}}}\)] 4,4'-Bipy-Salamo-Constructed Complex Using Experimental Results and DFT Approaches

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Abstract

Independent self-assembled salamo-based heterotetranuclear [\({\text{Zn}}_{2}^{{{\text{II}}}}\)–\({\text{Eu}}_{2}^{{{\text{III}}}}\)] complex, [{Zn(L)Eu(NO3)3}2(4,4'-bipy)]⋅2CH3OH, constructed from an asymmetric salamo-based bisoxime ligand 6-methoxy-6'-ethoxy-2,2'-[ethylenedioxybis(azinomethyl)]diphenol (H2L), was synthesized and validated by single crystal X-ray diffraction analysis, elemental analysis, infrared spectroscopy and UV–Vis absorption spectroscopy. X-ray diffraction analysis revealed that the Zn(II) atoms were five-coordinated, adopting a distorted square pyramidal geometry, and the Eu(III) atoms were ten-coordinated, forming a twisted bicapped square antiprismatic geometry. In addition, an infinite three-dimensional supramolecular structure was formed via intermolecular hydrogen bond interactions. Meanwhile, the structure of the [\({\text{Zn}}_{2}^{{{\text{II}}}}\)–\({\text{Eu}}_{2}^{{{\text{III}}}}\)] complex was additionally calculated by the DFT method, its fluorescent and antibacterial properties were also investigated and discussed.

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Funding

This work was supported by the National Natural Science Foundation of China (21761018), the Science and Technology Program of Gansu Province (grant no. 18YF1GA057), the Program for Excellent Team of Scientific Research in Lanzhou Jiaotong University (201706), which we gratefully acknowledge. Computations were performed using National Supercomputing Center in Shenzhen, P. R. China.

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Authors and Affiliations

  1. School of Chemical and Biological Engineering, Lanzhou Jiaotong University, 730070, Lanzhou, China

    X.-X. An, J.-F. Wang, K.-F. **e, H.-R. Mu & X.-Y. Dong

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  1. X.-X. An
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  2. J.-F. Wang
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  3. K.-F. **e
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  4. H.-R. Mu
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Correspondence to X.-Y. Dong.

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An, XX., Wang, JF., **e, KF. et al. Analysis of Molecular Properties of a Biologically Active Heterotetranuclear [\({\text{Zn}}_{2}^{{{\text{II}}}}\)–\({\text{Eu}}_{2}^{{{\text{III}}}}\)] 4,4'-Bipy-Salamo-Constructed Complex Using Experimental Results and DFT Approaches. Crystallogr. Rep. 66, 1238–1246 (2021). https://doi.org/10.1134/S1063774521070038

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