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SYNTHESIS, CRYSTAL STRUCTURE, AND DFT INSIGHT OF A NEW TRIGONAL BIPYRAMIDAL ZINC(II) COMPLEX

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Abstract

Bithiazole is considered as a domain of bleomycin which is countered as a chemotherapeutic drug to treat many types of cancer. Hence, the trend towards the design of model compounds containing the bithiazole moiety is increased recently. In this regard, the 2,2′-diamino-5,5′-dimethyl-4,4′-bithiazole organic ligand (L) is synthesized via a condensation reaction of 3,4-diaminobenzophenone with 2,3-butanedione monoxime. Moreover, its zinc(II) complex [Zn(L)3](NO3)2CH3OH (ZnL3) is synthesized and subsequently characterized by various analytical techniques, including Infrared spectroscopy, proton nuclear magnetic resonance, carbon nuclear magnetic resonance, thermal gravimetric-differential thermal analysis, and single crystal X-ray diffraction. Based on single crystal X-ray data, the ZnL3 complex belongs to the triclinic system with the space group P-1. In ZnL3, one of L ligands acts as a monodentate ligand to form the five-coordinated Zn(II) complex, giving a distorted trigonal bipyramidal geometry around the metal atom. Finally, UV-Vis and fluorescence spectroscopy is used to investigate the photophysical properties of the material explained via density functional theory.

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Funding

Support of this investigation by Iran National Science Foundation (grant No. 90001707) is gratefully acknowledged. We also thank the Institute of Organoelement Compounds of the Russian Academy of Science for determining the crystal structure by X-ray crystallography.

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Authors and Affiliations

  1. School of Engineering Science, College of Engineering, University of Tehran, Tehran, Iran

    M. Chamack & A. Hosseinian

  2. Department of Chemistry, Tarbiat Modares University, Tehran, Iran

    Z. Khazaee

Authors
  1. M. Chamack
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  2. A. Hosseinian
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  3. Z. Khazaee
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Correspondence to A. Hosseinian.

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Text © The Author(s), 2021, published in Zhurnal Strukturnoi Khimii, 2021, Vol. 62, No. 7, pp. 1121-1133.https://doi.org/10.26902/JSC_id74434

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Chamack, M., Hosseinian, A. & Khazaee, Z. SYNTHESIS, CRYSTAL STRUCTURE, AND DFT INSIGHT OF A NEW TRIGONAL BIPYRAMIDAL ZINC(II) COMPLEX. J Struct Chem 62, 1043–1055 (2021). https://doi.org/10.1134/S0022476621070088

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