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Lead(II) coordination polymers with imidazole-4- and pyrazole-3-carboxylate isomeric linkers: Structural diversity and luminescence properties
Journal of Solid State Chemistry ( IF 3.3 ) Pub Date : 2018-07-18 , DOI: 10.1016/j.jssc.2018.07.012
Mateusz Kowalik , Joanna Masternak , Katarzyna Kazimierczuk , Oleksiy V. Khavryuchenko , Bogumiła Kupcewicz , Barbara Barszcz

Using 1H-imidazole-4-carboxylic acid (4imCOOH) and 1H-pyrazole-3-carboxylic acid (3pyrCOOH) coordination polymers [Pb(4imCOO)2(H2O)]n (1) and [Pb2(3pyrCOO)4]n (2) were constructed. Obtained polymers were characterized via FT-IR, X-ray, PL and TG methods. The coordination polyhedron around Pb(II) in 1 is described as distorted pentagonal pyramid with hemidirected coordination sphere (based on DFT calculations). Compound 2 consists of two crystallographically independent Pb(II) centres: Pb1 forms distorted monocapped pentagonal pyramid polyhedron (CN = 7, hemidirected), whereas the coordination polyhedron of Pb2 is distorted monocapped pentagonal pyramid (CN = 7) or tricapped octahedron (CN = 9, including secondary bonds) with holodirected geometry (confirmed by DFT calculations). Crystal structure of polymer 1 demonstrates a 1D structural motif with 2C1 topology while polymer 2 is a 2D compound with cpf topology. Polymer 1 presents blue-green emission at 485 nm at RT in the solid state, whereas polymer 2 exhibits two emission centres with maximum at 449 nm (blue fluorescence) and at 532 nm (green-yellow fluorescence), respectively.



中文翻译:

具有咪唑-4-和吡唑-3-羧酸酯异构体接头的铅(II)配位聚合物:结构多样性和发光性能

使用1 H-咪唑-4-羧酸(4imCOOH)和1 H-吡唑-3-羧酸(3pyrCOOH)配位聚合物[Pb(4imCOO)2(H 2 O)] n1)和[Pb 2(3pyrCOO) )4 ] n2)被构造。通过FT-IR,X射线,PL和TG方法表征获得的聚合物。围绕Pb(II)1的配位多面体被描述为具有半定向配位球的扭曲五角锥(基于DFT计算)。化合物2由两个在晶体学上独立的Pb(II)中心组成:Pb1形成扭曲的单峰五角锥多面体(CN = 7,半定向),而Pb2的配位多面体是扭曲的单峰五角锥(CN = 7)或三重八面体(CN = 9, (包括次级键)具有完整的几何形状(通过DFT计算确认)。聚合物1的晶体结构显示具有2C1拓扑的一维结构基序,而聚合物2是具有cpf拓扑的2D化合物。聚合物1在室温下以485 nm呈固态发出蓝绿色发射光,而聚合物2 展示了两个发射中心,最大发射中心分别在449 nm(蓝色荧光)和532 nm(绿黄色荧光)。

更新日期:2018-07-19
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