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First copper(II)-cyclophosphato complex with macrocyclic N-donor ligand: Single crystal structure elucidation with Hirshfeld surface analysis, optical, electrochemical and antioxidant properties
Journal of Solid State Chemistry ( IF 3.2 ) Pub Date : 2018-04-06
Hanène Hemissi, Ramzi Fezai, Ali Mezni, Salma Besbes-Hentati, Mohamed Rzaigui

From the system metal-cyclam-condensed phosphate is isolated the first complex of {(H3O+)2[Cu(II)(μ-P4O12)(cyclam)]}n(1). This complex was characterized by X-ray diffraction (XRD), spectroscopy (diffuse reflectance, UV–Vis and FT-IR) and thermal analysis (DTA/TGA). The solved molecular structure of 1 revealed one rare 1D-anionic polymeric copper(II)-complex, {[Cu(II)(μ-P4O12)(cyclam)]2-}n, involving two distinct ring ligands (cyclam / cyclotetraphosphate), in which a new coordination mode of the P4O124 was observed. The counterions (H3O+) ensure the connection between 1D-polymers by acting as donor in a strong "charge-assisted" hydrogen bonds with P4O12 rings leading to 2D-supramolecular frameworks arranged in -A-B-A- fashion. The 2D-supramolecular network is stabilized by O/N-H…O interactions whereas the van der Waals contacts play a key role in the consolidation of the 3D packing as verified by Hirshfeld surface analysis in combination with 2D fingerprint plots. The biochemical properties of 1 was also evaluated via DDPH, ABTS, hydroxyl radical scavengers and ferric reducing power (FRP) showing promising antioxidant activities which has been clarified by means of the cyclic voltammetric study.



中文翻译:

首个具有大环N供体配体的铜(II)-环磷酸络合物:具有Hirshfeld表面分析,光学,电化学和抗氧化性能的单晶结构阐明

从系统中金属cyclam缩合磷酸盐中分离所述第一复合物{(H 3 ö +2 [铜(II)(μ-P 4 ø 12)(cyclam)]} Ñ (1) 。该复合物的特征在于X射线衍射(XRD),光谱学(漫反射率,UV-Vis和FT-IR)和热分析(DTA / TGA)。该解决分子结构的1揭示一种稀有1D-阴离子聚合铜(II) -络合物,{[铜(II)(μ-P 4 ø 12)(cyclam)] 2- } Ñ,涉及两种不同的环配体(cyclam /环四磷酸),其中一种新的配位方式P4Ø124-被观测到。抗衡离子(H 3 O +)通过与P 4 O 12环形成牢固的“电荷辅助”氢键,使供体以-ABA-形式排列的2D超分子骨架,从而确保1D聚合物之间的连接。二维超分子网络通过O / NH…O相互作用而得以稳定,而范德华接触在3D堆积的固结中起着关键作用,这已通过Hirshfeld表面分析与2D指纹图的结合得到了验证。还通过DDPH,ABTS,羟基自由基清除剂和三价铁还原能力(FRP)对1的生化特性进行了评估,这些活性显示出很有希望的抗氧化活性,这已通过循环伏安法研究得以阐明。

更新日期:2018-04-11
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