八面体双核钴(Ⅲ)-Salen配合物的自组装  

Self-Assembly of an Octahedral Dinuclear Co(Ⅲ)-Salen Complex

作　　者：纳丽萍 邓云虎[1] 窦琳 满莉丽 NA Li-ping;DENG Yun-hu;DOU Lin;MAN Li-li(School of Chemistry and Chemical Engineering,Lanzhou Jiaotong University,Lanzhou 730070,China;School of Chemical Engineering,Northwest Minzu University,Lanzhou 730030,China)

机构地区：[1]兰州交通大学化学化工学院,兰州730070 [2]西北民族大学化工学院,兰州730030

出　　处：《兰州交通大学学报》2022年第1期138-145,共8页Journal of Lanzhou Jiaotong University

基　　金：国家自然科学基金(21761018)。

摘　　要：在混合有机溶剂中,通过双隔室多齿Salen型配体(H_(2)L)与乙酸钴(Ⅱ)自组装反应,成功培养了一个新颖的双核八面体钴(Ⅲ)-Salen配合物单晶,并通过红外光谱、紫外-可见吸收光谱、ESI质谱和X-射线单晶衍射分析,充分表征了配合物结构为[Co_(2)(L)_(3)]·3EtOH.结果表明,配体上甲氧取代基的引入导致形成的钴(Ⅲ)配合物中存在两种不同配位模式的配体.通过理论计算分析了H_(2)L及其配合物的键级和相互作用区域指标(IRI),利用密度泛函理论(DFT)研究了配合物的前线分子轨道,同时钴(Ⅲ)配合物的荧光性质研究发现其在甲醇溶液中具有良好的荧光特性.A novel octahedral dinuclear Co(Ⅲ)-Salen coordination compound single crystal was successfully cultivated by self-assembly of bicompartmental multidentate Salen-type ligand(H_(2)L)with cobalt acetate in a mixed organic solvent.The structure of the complex as[Co_(2)(L)_(3)]·3EtOH.The Co(Ⅲ)complex was characterized by IR,UV-Vis spectra,ESI mass and single crystal X-ray diffraction analysis.The results showed that the introduction of the methoxy substituent on the ligand resulted in the existence of two ligands with different coordination modes in the cobalt(Ⅲ)complex formed.The bond level and interaction region index(IRI)of H_(2)L and its complexes were analyzed through theoretical calculations,the frontier molecular orbitals of the complexes were studied by using density functional theory(DFT).Meanwhile the fluorescence properties of cobalt(Ⅲ)complex showed that it had good fluorescence characteristics in methanol solution.

关 键 词：SALEN 钴(Ⅲ)配合物 荧光性质 理论研究 

分 类 号：O614.23[理学—无机化学]