Abstract

Two new Pd(II) complexes were prepared from two novel fluorescent heterocyclic bidentate ligands synthesized by the reaction of 8-(4-chlorophenyl)-3-alkyl-3H-imidazo[4′,5′:3,4]benzo [1,2-c]isoxazol-5-amine with p-methoxybenzaldehyde and p-nitrobenzaldehyde in good yields. Indeed the ligands reacted with Pd(II) ion to yield new complexes. Schiff base ligands and their metal complexes were characterized by elemental analyses, IR, UV–vis, mass, and NMR spectra. The optical properties of the compounds were investigated and the results showed that they exhibited interesting photophysical properties. Optimized geometries and assignment of the IR bands for the new complexes were also computed by using density functional theory (DFT) methods. The DFT-calculated vibrational wavenumbers are in good agreement with the experimental values, confirming suitability of the optimized geometries for Pd(II) complexes.

抽象的

由8-（4-氯苯基）-3-烷基-3 H-咪唑并[4'，5'：3,4]苯并[ 1,2 - c ]异恶唑-5-胺与对甲氧基苯甲醛和p-硝基苯甲醛收率好。实际上，配体与Pd（II）离子反应生成新的络合物。Schiff碱配体及其金属络合物通过元素分析，IR，UV-vis，质量和NMR光谱进行表征。研究了化合物的光学性质，结果表明它们表现出令人感兴趣的光物理性质。还使用密度泛函理论（DFT）方法计算了新配合物的最佳几何构型和红外波段的分配。DFT计算的振动波数与实验值非常吻合，证实了优化的几何形状对Pd（II）配合物的适用性。