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Synthesis, crystallographic structure and hirshfeld surface analysis of nickel(II) chelate derived from O,N,S-donor tridentate thiosemicarbazone
Chemical Data Collections Pub Date : 2021-07-28 , DOI: 10.1016/j.cdc.2021.100758
Leji Latheef 1, 2 , Maliyeckal R. Prathapachandra Kurup 1, 3 , E. Suresh 4
Affiliation  

New mononuclear complex [NiLβ-pic] has been synthesized by the reaction of Ni(II) acetate with salicylaldehyde 3-azacyclothiosemicarbazone (H2L) in the presence heterocyclic base, β-picoline as an auxiliary ligand. The complex has been investigated by elemental analysis, FT-IR, UV-Vis, 1H NMR and 13C NMR spectroscopy. These data show that the thiosemicarbazone acts as a dianionic tridentate ligand and coordinated to the metal through azomethine nitrogen, thioiminolate sulfur and phenolate oxygen. The coordination sphere is completed by β-picoline. The magnetic susceptibility measurement indicates that the complex is mononuclear and diamagnetic. The structure of the compound is also confirmed by single crystal X-ray crystallography and was found to be distorted square planar in geometry around Ni(II) metal ion centre in which the angles deviated from ideal 90° with a maximum value of 6.85° occupied by azomethine nitrogen, thiolato sulfur, phenolato oxygen and pyridyl nitrogen atoms. Hirshfeld surface analysis (dnorm surfaces and two-dimensional fingerprint plots) for the compound were performed and discussed.



中文翻译:

来自 O,N,S-供体三齿缩氨基硫脲的镍 (II) 螯合物的合成、晶体结构和 hirshfeld 表面分析

在杂环碱、β-甲基吡啶作为辅助配体的情况下,通过乙酸镍 (II) 与水杨醛 3-氮杂环氨基硫脲 (H 2 L)反应合成了新的单核配合物 [NiLβ-pic] 。该配合物已通过元素分析、FT-IR、UV-Vis、1 H NMR 和13C 核磁共振光谱。这些数据表明缩氨基硫脲作为双阴离子三齿配体并通过偶氮甲碱氮、硫代亚胺酸硫和苯酚氧与金属配位。配位球由β-甲基吡啶完成。磁化率测量表明该复合物是单核和抗磁性的。该化合物的结构也由单晶 X 射线晶体学证实,并发现在 Ni(II) 金属离子中心周围的几何形状上是扭曲的方形平面,其中角度偏离理想的 90°,占据的最大值为 6.85°由偶氮甲碱氮、硫醇合硫、酚合氧和吡啶基氮原子组成。Hirshfeld 表面分析(d范数 表面和二维指纹图)进行了讨论。

更新日期:2021-08-04
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