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）  

Syntheses, Structures and Properties of Four Transition Metal Complexes with 2,4-Oxybis(benzoic acid) and N-Donor Ligands

作　　者：唐龙 殷思煜 王滢璐 史德倩 侯向阳 王潇 王记江 TANG Long;YIN Si-Yu;WANG Ying-Lu;SHI De-Qian;HOU Xiang-Yang;WANG Xiao;WANG Ji-Jiang(Yan′an University Key Laboratory of New Energy & New Functional Materials,Shaanxi Key Laboratory of Chemical Reaction Engineering,College of Chemistry and Chemical Engineering,Yan′an University,Yan′an,Shaanxi 716000,China)

机构地区：[1]延安大学化学与化学工程学院延安大学新能源与新功能材料重点实验室陕西化学反应工程重点实验室

出　　处：《无机化学学报》2019年第10期1728-1736,共9页Chinese Journal of Inorganic Chemistry

基　　金：国家自然科学基金(No.21373178,21573189);陕西省教育厅自然科学重点项目(No.16JS121)资助

摘　　要：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。Four transition metal coordination polymers{[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)and[Ni(2,4-oba)(bimyb)0.5]n(4)(2,4-H2oba=2,4-oxybis(benzoic acid),bipy=4,4′-bipyridine,phen=1,10-phenanthroline,bimyb=1,4-bis(imidazole-1-ylmethyl)benzene)were synthesized by hydrothermal reactions and characterized by single-crystal X-ray diffraction,thermogravimetric analyses,IR spectroscopy and elemental analysis.Complex 1 is a 1D chain structure,which is extended to a 2D supramolecular architecture by O-H…O hydrogen bonding.Complex 2 shows a 1D wavy chain structure,which is expanded to a 2D wavelike network through aromaticπ-πstacking interactions.Complexes 3 and 4 are 2D layer structures produced by ligands bridging binuclear paddle-wheel units.The magnetic properties of 2~4 have also been investigated,and the exchange conpling constants were-0.79,-8.97 and-11.42 cm-1,respectively.According to the crystal structures,the magnetic coupling behavior of complexes 2~4 were studied by using hybrid DFT-BS method,and the result reveals that the calculated exchange coupling constants(J)are in good agreement with the experimental data.

关 键 词：配位聚合物 晶体结构 磁学性质 密度泛函理论 

分 类 号：O614.711[理学—无机化学] O614.812[理学—化学]