Synthesis, crystal structure, Hirshfeld surface analysis, spectroscopic characterizations and electrical properties of the new complex of cobalt (III) and the Schiff-base of dihydroxycoumarin

•Low frequency bands in IR spectrum confirm the coordination of the ligand with cobalt.•The strongest H bonds O11-H ⋯ O7 lie between the ClO4− ions and H2O molecules•Interactions in crystal packing were supported by Hirshfeld surface analysis.•Solvatochromic shift in emission spectrum is observed as...

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Veröffentlicht in:Journal of molecular structure 2021-12, Vol.1246, p.131161, Article 131161
Hauptverfasser: Ketata, Imen, Bejaoui, Linda, Brahmia, Ameni, Ben Hassen, Rached
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Sprache:eng
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Zusammenfassung:•Low frequency bands in IR spectrum confirm the coordination of the ligand with cobalt.•The strongest H bonds O11-H ⋯ O7 lie between the ClO4− ions and H2O molecules•Interactions in crystal packing were supported by Hirshfeld surface analysis.•Solvatochromic shift in emission spectrum is observed as the solvent polarity increases.•Good significance in electronic and optoelectronic device applications. A new cobalt (III) complex, the [3,3′-{ethane-1,2-diylbis[(azanylylidene)eth-1-yl-1-ylidene]}bis [4-(hydroxy)-2H-1-benzopyran-2-onato]]-[bis(pyridine)]-cobalt chloradioxirane-1,1-dione hydrate, promising for its fluorescent and electrical properties was synthesized by the reaction of the Schiff-base '4-hydroxy-3-((E)-1-(2-((E)-1-(4-hydroxy-2-oxo-2H-chromen-3-yl)ethylideneamino) ethylimino) ethyl)-2H-chromene-2-one' and cobalt(II) acetate tetrahydrate under an oxygen-rich atmosphere. The structure was determined by single crystal X-ray diffraction and confirmed by FT-IR and UV-visible spectroscopies. Hirshfeld's surface analysis indicates that the most important inter-molecular hydrogen bond within crystal packing is O-H⋯O interaction and the presence of a π-π stack was evident by the shape index and the curvature. It was also characterized for its high green emission in polar aprotic solvents using spectrofluorimetry. Dielectric constant (ε′), dielectric loss (tan δ) and conductivity (σ) were studied as a function of temperature and frequency. The results could be very significant in electronic and optoelectronic device applications. [Display omitted]
ISSN:0022-2860
1872-8014
DOI:10.1016/j.molstruc.2021.131161