Synthesis and structural characterization of a 8-hydroxyquinoline derivative coordinated to Zn(II)

Publication date: 5 October 2018
Source:Journal of Molecular Structure, Volume 1169
Author(s): Leonardo V. De Freitas, Abid Lohan da S.F. Dos Santos, Felipe C. Da Costa, Jader B. Calixto, Paulo Vinícius P. Miranda, Thamires J.J. Silva, Eufrásia S. Pereira, Willian R. Rocha, Wagner B. De Almeida, Leonardo A. De Souza, Maria C.R. Freitas
In this work, a 8-hydroxyquinoline derivative, named 8-hydroxyquinoline-2-carboxaldehyde 2-furoyl hydrazone (HQFUH), was obtained. The respective compound was successfully synthesized as well as its respective Zn(II) coordination compound. Both compounds were structurally characterized, by experimental and theoretical IR and Raman spectra, XRD. Single crystal XRD showed that Zn(II) adopts a tetrahedral geometry, in which the neutral chelating ligand coordinates bidentaded by two N-atoms and the neutrality charge is achieved by two coordinated chloride ions. Topological analysis using Quantum Theory of Atoms in Molecules (QTAIM) was performed to investigate ligand interaction through O-atoms. This investigation is important regarding the determination of complex formation constant. The crystal structures of the ligand and complex are arranged according to an orthorhombic system with P212121 and Aea2 space groups, respectively. Ligand displays a E configuration around to C10 = N2 bond, while after the coordination of metal, a Z configuration is observed. Besides molecular structure description of complex, the intermolecular environment was analyzed by Hirshfeld Surface.

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