Synthesis, spectroscopic characterization, crystal structure and theoretical investigation of two azo-palladium (II) complexes derived from substituted (1-phenylazo)-2-naphtol
作者:Souheila Chetioui、Bachir Zouchoune、Hocine Merazig、Salah-Eddine Bouaoud、DjamilAzeddine Rouag、Jean-Pierre Djukic
DOI:10.1007/s11243-020-00425-5
日期:2021.2
were, respectively, used in the synthesis of two new complexes, bis[1-(2-methoxyphenylazo)-2-naphthoxy]palladium(II) and bis[1-(3-methoxyphenylazo)-2-naphthoxy]palladium(II), noted (I) and (II), respectively. (I) and (II) were characterized by physicochemical and spectroscopic methods, and their molecular structures were determined by X-ray crystallography. Both complexes display a square-planar geometry
邻位取代的(E)-1-((2-甲氧基苯基)二氮烯基)萘-2-醇和间位取代的(E)-1-((3-甲氧基苯基)二氮烯基)萘-2-醇分别是,用于合成两种新的配合物,双[1-(2-甲氧基苯基偶氮)-2-萘氧基]钯(II)和双[1-(3-甲氧基苯基偶氮)-2-萘氧基]钯(II),注意到( I) 和 (II),分别。(I)和(II)通过物理化学和光谱方法表征,并且它们的分子结构通过X射线晶体学确定。两个复合体都显示方形平面几何,这是通过 DFT/B3LYP 级别的完整几何优化再现的。还对游离配体(以其前体形式)进行了计算,以了解它们的键合并分析它们的电子结构。还对三种复合物进行了 TD-DFT 计算,以模拟它们的吸收光谱,并与(I)和(II)的实验 UV-Vis 数据进行比较。(I) 光谱中的主峰分配给混合 LMCT/LLCT 和 π-π * (ILCT) 跃迁,而 (II) 提供的独特主峰分配给 MLCT