Preparation, structural characterization, voltammetry and Hirshfeld surface analysis of homoleptic iron(III) thiosemicar
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Preparation, structural characterization, voltammetry and Hirshfeld surface analysis of homoleptic iron(III) thiosemicarbazone complexes Waleska R. P. Costa1 · Rafael A. C. Souza1 · Victor M. Deflon2 · Carolina G. Oliveira1 Received: 30 March 2020 / Accepted: 29 May 2020 © Springer Nature Switzerland AG 2020
Abstract Reactions of F eSO4 precursor with thiosemicarbazones Hatc-R, where R is ethyl (Et) or phenyl (Ph), led to the formation of homoleptic iron(III) complexes of the type [Fe(atc-R)2]HSO4. The characterization of the compounds was performed by spectroscopy techniques, such as FTIR, UV–Vis, besides elemental analysis, conductometry, voltammetry and magnetic susceptibility measurement. The crystalline structure of [Fe(atc-Ph)2]HSO4·H2O was determined by single-crystal X-ray diffraction and revealed the oxidation of the Fe(II) centre to Fe(III) upon complexation of the monoanionic N,N,S-tridentate thiosemicarbazonate ligands. The magnetic susceptibility results showed the paramagnetic property of the iron(III) complexes in the extension of 1 unpaired electron. The electrochemical analyses showed a nearly reversible process of the iron complex, which is slightly influenced by the peripheral substituent groups at the N(4) position of the atc-R1− ligands. Hirshfeld surface analysis revealed that the supramolecular structure of [Fe(atc-Ph)2]HSO4·H2O is stabilized mainly by H···H, C···H/H···C and O···H/H···O interactions.
Introduction Transition metal complexes have many applications in distinct areas of inorganic and bioinorganic chemistry such as catalysis, luminescence, sensors and biological systems [1–4]. Indeed, numerous metal ions of the first transition series are present in a variety of metalloprotein and are essential to biological system functions. Copper(II) complexes, for instance, play numerous catalytic processes in Electronic supplementary material The online version of this article (https://doi.org/10.1007/s11243-020-00404-w) contains supplementary material, which is available to authorized users. * Carolina G. Oliveira [email protected] Waleska R. P. Costa [email protected] Rafael A. C. Souza [email protected] Victor M. Deflon [email protected] 1
Institute of Chemistry, Federal University of Uberlândia, 38400‑902 Uberlândia, Brazil
São Carlos Institute of Chemistry, University of São Paulo, 13560‑970 São Carlos, Brazil
2
living organisms through electron transfer reactions [5] and have been extensively studied because of its biologically relevant redox properties [6], as also noted for complexes containing iron [7]. The complex properties are largely ligand dependent. For this reason, it is important to prepare efficient, flexible and versatile binding systems. The number and arrangement of donor atoms normally determine how the organic molecules coordinate to the metal centre. Thiosemicarbazones (TSCs), a class of ligands containing nitrogen and sulphur donor atoms, have gained attention over the last decades in the main research areas of coordination chemistry [8, 9
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