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首页> 外文期刊>Dalton transactions: An international journal of inorganic chemistry >Electron delocalisation in a trinuClear copper(II)complex:high-field EPR characterization and magnetic properties of Na_3[Cu_3(mal)_3(H_2O)]centre dot 8H_2O
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Electron delocalisation in a trinuClear copper(II)complex:high-field EPR characterization and magnetic properties of Na_3[Cu_3(mal)_3(H_2O)]centre dot 8H_2O

机译：三核透明铜（II）络合物中的电子离域：Na_3 [Cu_3（mal）_3（H_2O）]中心点8H_2O的高场EPR表征和磁性能

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摘要

The complex Na_3[Cu_3(mal)_3(H_2O)]centre dot 8H_2O was obtained from evaporation of an aqueous solution containing Cu(OAc)_2,malic acid(HO_2CCH_2CHOHCO_2H)and NaOH and was characterised by X-ray diffraction on single crystal,X-band and high-field EPR spectroscopy(HF-EPR)and magnetic susceptibility measurements.The trinuClear complex[Cu_3(mal)_3(H_2O)]~(3-)is trapped in a three-dimensional network with sodium cations.The three copper atoms are connected by alkoxo bridges and form an almost isosceles triangle with Cu...Cu distances of 3.076(1),3.504(1)and 3.513(1)A.Two of the copper ions are also bridged by an extra aquo ligand.EPR spectroscopy combined with magnetic susceptibility measurements provide a powerful tool to resolve the electronic structure of the complex.The overall magnetic behaviour corresponds to an antiferromagnetically coupled triangular system.The 285 GHz-EPR spectrum(g=2;10.18 T)is characteristic of a spin state S=1/2,with a rhombic anisotropy of[g].This rhombic pattern allows us to propose that the electronic spin density is delocalised on the three copper ions.
机译：Na_3 [Cu_3（mal）_3（H_2O）]中心点8H_2O是通过蒸发含有Cu（OAc）_2，苹果酸（HO_2CCH_2CHOHCO_2H）和NaOH的水溶液而获得的，并通过在单晶上进行X射线衍射进行表征， X波段和高场EPR光谱（HF-EPR）和磁化率测量。三核清[Cu_3（mal）_3（H_2O）]〜（3-）络合物被捕获在带有钠阳离子的三维网络中。三个铜原子通过烷氧基桥连接并形成一个几乎等腰的三角形，Cu ... Cu的距离分别为3.076（1），3.504（1）和3.513（1）A。两个铜离子也被一个额外的水EPR光谱结合磁化率测量提供了一个强大的工具来解析配合物的电子结构。整体磁行为对应于反铁磁耦合的三角系统.285 GHz-EPR光谱（g = 2; 10.18 T）具有特征性自旋态S = 1/2，菱形各向异性为[g]。 tern让我们提出了电子自旋密度在三个铜离子上离域的问题。

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