Reactions of FeSO4 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.

中文翻译：

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均质铁 (III) 氨基硫脲配合物的制备、结构表征、伏安法和 Hirshfeld 表面分析

FeSO4 前体与缩氨基硫脲 Hatc-R 反应，其中 R 是乙基 (Et) 或苯基 (Ph)，导致形成 [Fe(atc-R)2]HSO4 型均配铁 (III) 配合物。除了元素分析、电导法、伏安法和磁化率测量外，还通过光谱技术（如 FTIR、UV-Vis）对化合物进行表征。[Fe(atc-Ph)2]HSO4·H2O 的晶体结构由单晶 X 射线衍射确定，揭示了单阴离子 N,N 络合后 Fe(II) 中心氧化为 Fe(III) ,S-三齿氨基甲胂配体。磁化率结果表明铁(III)配合物在1个未成对电子的延伸中具有顺磁性。电化学分析表明铁络合物的过程几乎可逆，这受到 atc-R1- 配体 N(4) 位置的外围取代基的轻微影响。Hirshfeld表面分析表明[Fe(atc-Ph)2]HSO4·H2O的超分子结构主要由H···H、C···H/H···C和O···H/H稳定···O 互动。