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首页> 外文期刊>Polyhedron: The International Journal for Inorganic and Organometallic Chemistry >HSAB principle and nickel(II) ion reactivity towards 1-methyhydantoin
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HSAB principle and nickel(II) ion reactivity towards 1-methyhydantoin

机译：HSAB原理和镍（II）对1-甲基乙内酰脲的反应活性

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摘要

1-Methylhydantoin and its novel nickel(II) complex [Ni(H_2O) _4(1-mhyd)2] were prepared and identified, by elemental analysis, single crystal X-ray determination and MS methods. In addition, the complex was characterized by spectroscopic (IR, UV-Vis), magnetic and thermal techniques. The ligand reveals an interesting supramolecular architecture with both classical and non-conventional extended HB bonding networks. All rings and chains formed due to this HB bonding are embedded into the undulated pattern. A single crystal X-ray diffraction analysis of the complex shows that the nickel ion is coordinated by deprotonated hydantoin and water ligands in a N 2O4 tetragonal arrangement. In the [Ni(H _2O)_4(1-mhyd)2] structure both inter and intramolecular hydrogen bonds are created with the participation of water molecules. The ESI-MS method confirmed mono-nuclearity of the complex while electronic spectroscopy proved the tetragonal and pseudooctahedral geometries around the metal ion in the solid state and solution, respectively. By application of the "average environment rule", 10Dq parameters were obtained for the hypothetical, hexa-coordinate [Ni(1-mhyd)6] approximation or rather more realistic [Ni(1-mhyd)3] chelate. Based on this the mhyd ligand was ranked in the spectrochemical series close to ammonia. The general consideration of the structure of the hydantoin complexes as a function of the metal ion hardness within the framework of the HSAB theory has been provided. Both the ligand and the complex were found to be non-toxic agents against breast (MCF-7), lung carcinoma epithelial (A549) and mouse fibroblasts (Balb/3T3) cancer cell lines.
机译：制备了1-甲基乙内酰脲及其新型镍（II）络合物[Ni（H_2O）_4（1-mhyd）2]，并通过元素分析，单晶X射线测定和MS方法鉴定。另外，该复合物通过光谱学（IR，UV-Vis），磁和热技术表征。该配体显示了具有经典和非常规扩展HB键网络的有趣的超分子结构。由于这种HB键而形成的所有环和链都嵌入到起伏的图案中。配合物的单晶X射线衍射分析表明，镍离子由去质子化的乙内酰脲和水配体以N 2O4的四边形排列。在[Ni（H _2O）_4（1-mhyd）2]结构中，分子内和分子内氢键都是在水分子的参与下产生的。 ESI-MS方法确认了复合物的单核，而电子光谱法则分别证明了固态和溶液中金属离子周围的四方和拟八面体几何形状。通过应用“平均环境规则”，获得了10Dq参数，用于假设的六坐标[Ni（1-mhyd）6]近似或更真实的[Ni（1-mhyd）3]螯合物。基于此，mhyd配体在光谱化学系列中排名接近氨。在HSAB理论的框架内，已经提供了乙内酰脲配合物的结构作为金属离子硬度的函数的一般考虑。发现配体和复合物都是对乳腺癌（MCF-7），肺癌上皮细胞（A549）和小鼠成纤维细胞（Balb / 3T3）癌细胞系的无毒剂。

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