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首页> 外文期刊>Polyhedron: The International Journal for Inorganic and Organometallic Chemistry >A novel 2D vanadium(V)-isonicotinohydrazide coordination polymer, C _(15)H_(16)AgN_4O_8V: Synthesis, structure, catalytic activity and DFT calculation
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A novel 2D vanadium(V)-isonicotinohydrazide coordination polymer, C _(15)H_(16)AgN_4O_8V: Synthesis, structure, catalytic activity and DFT calculation

机译:新型二维钒(V)-异二十二酰肼配合物C _(15)H_(16)AgN_4O_8V:合成,结构,催化活性和DFT计算

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摘要

A novel two-dimensional 3d-4d transition metal-based coordination polymer [VO(OCH_3)(OHCH_3)(L)Ag(NO_3)]_∞ (1) has been synthesized and characterized by single crystal X-ray diffraction and fluorescence spectroscopy (H_2L = (E)-N′-(2- hydroxybenzylidene)isonicotinohydrazide). The coordination sphere of each V center is octahedral and chelates to a tridentate ligand L, while the tetrahedral conformation of Ag center consists of two O and two N atoms. Infinite zigzag chains of Ag-tetrahedrals are formed. The hydrazinide L ~2- ligands of octahedral-V centers link adjacent chains to form an undulated heterometal based 2D layer. DFT calculations on 1 reproduced the geometric parameters and the electronic absorptions were predicted. The coordination polymer 1 showed very selective heterogeneous catalytic activity with 77-89% conversion in oxidation of alkenes, cyclooctane and benzyl alcohol by H_2O_2.
机译:合成了一种新型的二维3d-4d过渡金属基配位聚合物[VO(OCH_3)(OHCH_3)(L)Ag(NO_3)] _∞(1)并通过单晶X射线衍射和荧光光谱进行了表征(H_2L =(E)-N′-(2-羟基亚苄基)异噻吩并酰肼)。每个V中心的配位域为八面体,与三齿配体L螯合,而Ag中心的四面体构象由两个O和两个N原子组成。 Ag-四面体的无限之字形链形成。八面体-V中心的酰肼L〜2-配体连接相邻的链以形成起伏的基于杂金属的2D层。 1的DFT计算重现了几何参数并预测了电子吸收。配位聚合物1在H_2O_2氧化烯烃,环辛烷和苄醇中表现出非常高的选择性,具有77-89%的转化率。

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