Preparation, structural characterization, voltammetry and Hirshfeld surface analysis of homoleptic iron(III) thiosemicarbazone complexes

Reactions of FeSO(4)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)]HSO(4)Greek ano teleiaH(2)O was determined by single-crystal X-ray diffraction and revealed the oxidation of the Fe(II) centre to Fe(III) upon complexation of the monoanionicN,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 theN(4) position of the atc-R(1-)ligands. Hirshfeld surface analysis revealed that the supramolecular structure of [Fe(atc-Ph)(2)]HSO(4)Greek ano teleiaH(2)O is stabilized mainly by H center dot center dot center dot H, C center dot center dot center dot H/H center dot center dot center dot C and O center dot center dot center dot H/H center dot center dot center dot O interactions.