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Synthesis, Characterization, Theoretical studies and Photostabilization of Mefenamic acid Derivative with some divalent metal ions

机译:甲芬那酸衍生物与某些二价金属离子的合成,表征,理论研究和光稳定性

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A new Mefenamic acid derivative [(4-amino-5-(2-(2,3- dimethylphenyl)aminophnyl)-1,2,4-triazole-3-thion](L) , was synthesized and characterized by (FT-IR) , UV-Vis and 1 H , 13 C-NMR Spectroscopy as well as elemental analysis (C.H.N) . [L] has been used as a chelating ligand to prepare some complexes of (Co(??), Ni(П), Cu(П), Zn(II)and Cd(II) ions .The prepared complexes were identified and their geometrical were suggested in solid state by using (FT-IR) and (UV-Vis) spectroscopy ,elemental analysis(C.H.N), Flame atomic absorption technique, in addition to magnetic susceptibility and conductivity measurements . The work also include a theoretical treatment of the formed complexes in the gas phase, this was done using the (hyperchem-8) program for the molecular mechanics and semi-empirical calculations. The heat of formation ( ΔH f ○ ) and binding energy ( ΔE b ) for ligand and their complexes were calculated by (PM3) method at 298 K ○ . It was found that the ligand [ L ] and its metal complexes were stable , which agreed well with the experimental studies in solid state. Furthermore the electrostatic potential of the free ligand [ L ] was calculated to investigate the reactive sites of the molecules. PM3 were used to evaluate the bond length and vibrational spectra for the ligand [ L ] and their metal complexes then comparing with the experimental values. The work, which also included the induce Photostabilization of (PVC) film in air was investigated in the absence and presence of [L] and its complexes with transition metals (Co(??), Ni(??), Cu(??), Zn(II)and Cd(II) by accelerated weathering tester. Polymer has been mixed with these complexes in solvent which containing of complex 0.5 % by weight. The photostabilization activity of these compounds was determined by monitoring the carbonyl (I CO ),polyene(Ipo) and hydroxyl (I OH ) indexes, weight loss method with irradiation time. It was found that the (I CO ) (Ipo) and (I OH ) indexes values increased with irradiation time and this increase depend on the type of additives.
机译:合成了一种新的甲芬那酸衍生物[(4-氨基-5-(2-(2,3-二甲基苯基)氨基苯基)-1,2,4-三唑-3-硫代](L),并通过(FT- IR,UV-Vis和1 H,13 C-NMR光谱以及元素分析(CHN)。[L]已用作螯合配体来制备(Co(??),Ni(П) ,Cu(П),Zn(II)和Cd(II)离子。通过(FT-IR)和(UV-Vis)光谱,元素分析(CHN)对所制备的配合物进行了鉴定,并提出了固态的几何构图。 ,火焰原子吸收技术,除了磁化率和电导率测量外,这项工作还包括对气相中形成的配合物的理论处理,这是使用(hyperchem-8)程序完成的,用于分子力学和半经验用(PM3)法计算了298 K○时配体及其配合物的形成热(ΔHf○)和结合能(ΔEb),发现配体[L]及其金属c复合物是稳定的,这与固态的实验研究很好地吻合。此外,计算了游离配体[L]的静电势以研究分子的反应位点。 PM3用于评估配体[L]及其金属配合物的键长和振动光谱,然后与实验值进行比较。在不存在和存在[L]及其与过渡金属(Co(α),Ni(α),Cu(α)的配合物)的情况下,对包括PVC在空气中引起的光稳定作用进行了研究。用加速老化试验仪测定Zn,II和Cd(II)的含量,然后将聚合物与这些络合物在溶剂中混合,络合物含量为0.5%(重量),通过监测羰基(I CO)来测定这些化合物的光稳定活性。 ,多烯(Ipo)和羟基(I OH)指数,随照射时间的失重方法发现,(I CO)(Ipo)和(I OH)指数值随照射时间而增加,并且这种增加取决于类型添加剂。

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