基于2,4-氧基双(苯甲酸)和含氮配体的四种过渡金属配合物的合成、结构与性能（英文）

采用水热法合成了4种过渡金属配合物{[Mn(2,4-Hoba)2(bipy)(H2O)2]·2H2O}n(1),[Mn(2,4-oba)(phen)]n(2),[Co(2,4-oba)(bimyb)0.5]n(3)和[Ni(2,4-oba)(bimyb)0.5]n(4)(2,4-H2oba=2,4-氧基双(苯甲酸),bipy=4,4′-联吡啶,phen=1,10-菲咯啉,bimyb=1,4-双(咪唑-1-甲基)苯),并用X射线单晶衍射、热重分析、红外光谱和元素分析等手段对其进行了表征。单晶结构表明:配合物1是一维链状结构,通过O-H…O氢键扩展为二维超分子结构。配合物2是一维波浪链状结构,通过芳香环π-π堆积作用扩展为二维波状网络结构。配合物3和4是由配体桥联双核桨轮单元产生的二维层状结构。此外,对配合物2~4的磁性进行了研究,磁交换耦合常数分别为-0.79、-8.97和-11.42cm-1。根据配合物2~4的晶体结构,利用DFT-BS方法对配合物2~4的磁耦合行为进行了研究。结果表明,计算的交换耦合常数J与实验数据吻合较好。

Syntheses,structures,and properties of three coordination polymers based on 5⁃ethylpyridine⁃2,3⁃dicarboxylic acid and N⁃containing ligands

Three coordination polymers[Mn(epda)(2,2'⁃bipy)(H_(2)O)](1),[Mn(epda)(phen)](2),and[Co_(2)(epda)2(bpe)2(H_(2)O)_(4)]·5H_(2)O(3)(H2epda=5⁃ethyl⁃pyridine⁃2,3⁃dicarboxylic acid,2,2'⁃bipy=2,2'⁃bipyridine,phen=phenanthroline,bpe=1,2⁃bis(4⁃pyridyl)ethylene)were synthesized by solvothermal reactions and characterized by single⁃crystal X⁃ray diffraction,thermogravimetric analyses,IR spectroscopy and elemental analysis.1 displays a 1D chain struc⁃ture,and these chains are joined by O-H…O hydrogen bonding andπ⁃πstacking interactions to generate a 2D layer structure.2 displays a 2D layer structure,and adjacent layers are generated 3D architecture throughπ⁃πstacking interactions.3 displays a 1D chain structure,and adjacent chains are generated double layer structure through O-H…O hydrogen bonding.The fluorescent properties of 1 and 3 indicate that they can potentially be used as a luminescent sensor.1 was highly selective and sensitive towards o⁃nitrophenol through different detection mechanisms,however,3 was highly selective and sensitive towards 2,4,6⁃trinitrophenol.In addition,the magnetic behavior of 2 has also been investigated.CCDC:2172533,1,2355773,2,2355774,3.