首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >A strongly fluorescent NiII complex with 2-(2-hy­droxy­eth­yl)pyridine ligands: synthesis characterization and theoretical analysis and comparison with a related polymeric CuII complex
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A strongly fluorescent NiII complex with 2-(2-hy­droxy­eth­yl)pyridine ligands: synthesis characterization and theoretical analysis and comparison with a related polymeric CuII complex

机译:具有2-(2-羟基乙炔基)吡啶配体的强荧光NiII配合物:合成表征和理论分析并与相关的聚合CuII配合物进行比较

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摘要

The synthesis and characterization of di­aqua­bis­[2-(2-hy­droxy­eth­yl)pyridine-κ2 N,O)nickel(II) dinitrate, [Ni(C7H9NO)2(H2O)2](NO3)2, under ambient conditions is reported and compared with catena-poly[[bis­[2-(2-hy­droxy­eth­yl)pyridine-κ2 N,O]copper(II)]-μ-sulfato-κ2 O:O′], [Cu(C7H9NO)2(SO4)]n [Zegh­ouan et al. (2016). Private communication (refcode 1481676). CCDC, Cambridge, England]. In the two complexes, the 2-(2-hy­droxy­eth­yl)pyridine ligands coordinate the metal ions through the N atom of the pyridine ring and the O atom of the hy­droxy group, creating a chelate ring. The NiII or CuII ion lies on an inversion centre and exhibits a slightly distorted MO4N2 octa­hedral coordination geometry, build up by O and N atoms from two 2-(2-hy­droxy­eth­yl)pyridine ligands and two water mol­ecules or two O atoms belonging to sulfate anions. The sulfate anion bridges the CuII ions, forming a polymeric chain. The photoluminescence properties of these complexes have been studied on as-synthesized samples and reveal that both compounds display a strong blue-light emission with maxima around 497 nm. From DFT/TDDFT studies, the blue emission appears to be derived from the ligand-to-metal charge-transfer (LMCT) excited state. In addition, the IR spectroscopic properties and thermogravimetric behaviours of both complexes have been investigated.
机译:双亚硝酸双[2-(2-羟乙基)吡啶-κ 2 N,O)二硝酸镍(II)[Ni(C7H9NO)2(H2O)2](NO3)2的合成与表征,在环境条件下的报道,并与链状聚[[bis [2- [2-(2-羟乙基)吡啶]-κ 2 N,O]铜(II)]-μ-硫酸盐-κ< sup> 2 O:O'],[Cu(C7H9NO)2(SO4)] n [Zeghouan等。 (2016)。私人通信(代码1481676)。 CCDC,英国剑桥]。在这两个络合物中,2-(2-羟基乙炔基)吡啶配体通过吡啶环的N原子和羟基的O原子配位金属离子,形成螯合环。 Ni II 或Cu II 离子位于一个反转中心,并表现出轻微扭曲的MO4N2八面体配位几何结构,该结构由两个2-(2-羟乙基)吡啶配体和两个水分子或两个O原子属于硫酸根阴离子。硫酸根阴离子桥接Cu II 离子,形成聚合物链。这些配合物的光致发光特性已在合成样品上进行了研究,结果表明这两种化合物均显示出强烈的蓝光发射,最大值约为497nm。根据DFT / TDDFT研究,蓝色发射似乎源自配体到金属的电荷转移(LMCT)激发态。另外,还研究了两种配合物的红外光谱性质和热重行为。

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