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一种具有2-(2-羟乙基)吡啶配体的强荧光镍配合物:合成、表征、理论分析以及与一种相关的聚合铜配合物的比较

A strongly fluorescent Ni complex with 2-(2-hy-droxy-eth-yl)pyridine ligands: synthesis, characterization and theoretical analysis and comparison with a related polymeric Cu complex.

作者信息

Zeghouan Ouahida, Dems Mohamed AbdEsselem, Sellami Seifeddine, Merazig Hocine, Daran Jean Claude

机构信息

Unité de Recherche Chimie de l'Environnement et Moléculaire Structurale, 'CHEMS', Faculté des Sciences Exactes, Campus Chaabet Ersas, Université Frères Mentouri Constantine 1, 25000 Constantine, Algeria.

Centre de Recherche en Biotechnologie, Constantine, Algeria.

出版信息

Acta Crystallogr E Crystallogr Commun. 2018 Jul 6;74(Pt 8):1042-1048. doi: 10.1107/S2056989018009301. eCollection 2018 Aug 1.

DOI:10.1107/S2056989018009301
PMID:30116558
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC6072999/
Abstract

The synthesis and characterization of di-aqua-bis-[2-(2-hy-droxy-eth-yl)pyridine-κ,)nickel(II) dinitrate, Ni(CHNO)(HO), under ambient conditions is reported and compared with -poly[[bis-[2-(2-hy-droxy-eth-yl)pyridine-κ,]copper(II)]-μ-sulfato-κ:'], [Cu(CHNO)(SO)] [Zegh-ouan (2016 ▸). Private communication (refcode 1481676). CCDC, Cambridge, England]. In the two complexes, the 2-(2-hy-droxy-eth-yl)pyridine ligands coordinate the metal ions through the N atom of the pyridine ring and the O atom of the hy-droxy group, creating a chelate ring. The Ni or Cu ion lies on an inversion centre and exhibits a slightly distorted ON octa-hedral coordination geometry, build up by O and N atoms from two 2-(2-hy-droxy-eth-yl)pyridine ligands and two water mol-ecules or two O atoms belonging to sulfate anions. The sulfate anion bridges the Cu 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.

摘要

报道了在环境条件下二水合双[2-(2-羟乙基)吡啶-κN]镍(II)二硝酸盐Ni(C7H9NO2)2(H2O)22的合成与表征,并与聚[[双[2-(2-羟乙基)吡啶-κN]铜(II)]-μ-硫酸根-κO,O'],[Cu(C7H9NO2)2(SO4)] [Zeghouan (2016▸)。私人通信(参考代码1481676)。英国剑桥晶体学数据中心]进行了比较。在这两种配合物中,2-(2-羟乙基)吡啶配体通过吡啶环的N原子和羟基的O原子与金属离子配位,形成一个螯合环。Ni或Cu离子位于一个反演中心,呈现出略微扭曲的八面体配位几何结构,由来自两个2-(2-羟乙基)吡啶配体的O和N原子以及两个水分子或属于硫酸根阴离子的两个O原子构成。硫酸根阴离子桥连Cu离子,形成一条聚合物链。对这些配合物的光致发光性质在合成后的样品上进行了研究,结果表明这两种化合物都显示出强烈的蓝光发射,最大值在497 nm左右。从密度泛函理论/含时密度泛函理论研究来看,蓝光发射似乎源于配体到金属的电荷转移(LMCT)激发态。此外,还研究了这两种配合物的红外光谱性质和热重行为。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f4d7/6072999/86b67386a9b8/e-74-01042-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f4d7/6072999/9dbf39ff33dd/e-74-01042-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f4d7/6072999/e5712e8505e1/e-74-01042-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f4d7/6072999/3b056b2cc502/e-74-01042-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f4d7/6072999/53aa99f5d241/e-74-01042-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f4d7/6072999/61c3c24f549c/e-74-01042-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f4d7/6072999/86b67386a9b8/e-74-01042-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f4d7/6072999/9dbf39ff33dd/e-74-01042-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f4d7/6072999/e5712e8505e1/e-74-01042-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f4d7/6072999/3b056b2cc502/e-74-01042-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f4d7/6072999/53aa99f5d241/e-74-01042-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f4d7/6072999/61c3c24f549c/e-74-01042-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f4d7/6072999/86b67386a9b8/e-74-01042-fig6.jpg

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