Intrachain antiferromagnetic exchange in a 1D branched-chain built of two different copper(II) centres interlinked by end-on azido and phenoxo bridges: electron density map, electrochemical and magnetic properties

Fadaee Farzaneh; Amirnasr Mehdi; Prsa Krunoslav; Pattison Philip; Shaik Noore Elahi; Ronnow Henrik M.; Esrafili Mehdi D.; Omrani Arash A.; Amiri Ahmad; Schenk-Joss Kurt

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Intrachain antiferromagnetic exchange in a 1D branched-chain built of two different copper(II) centres interlinked by end-on azido and phenoxo bridges: electron density map, electrochemical and magnetic properties

机译：Intrachain反铁磁交换在1D支链中，由两种不同的铜（II）中心相互关联，通过终止αzIDO和苯氧基桥梁相互连接：电子密度图，电化学和磁性

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A 1D, end-on azido- and phenoxo-bridged, coordination polymer, [Cu-2(mu-NAPPR)(mu(1,1)-N-3)(2)](n) (1), (NAPPR(2-) = 1,3-bis(naphthylideneimino) propane dianion), was synthesized and characterized. The 1D branched-chain is built of two types of slightly different, square-pyramidal, Cu(II) ions with different sets of donor atoms. Temperature-and field-dependent magnetic analyses reveal an antiferromagnetic interaction between copper centres in the main chain (Cu-2) mediated by EO-azide bridges along the chain. The interaction between the copper centres Cu1 (in the branches of the main chain) and Cu-2 is very weak and is included by means of an own Weiss constant theta'. The electron density map of 1 from synchrotron data shows that the d(x2-y2) orbitals of Cu-2 are not well described by the procrystal model, a difference which might be meaningful for the magnetic properties. Cyclic voltammetry studies show two different redox waves with a large difference between the redox potentials of the two types of copper centres (1.21 V). The resulting data are consistent with the crystal structure of this complex determined by single crystal X-ray diffraction.

机译：1D，端部α-氮杂和苯氧基桥接，配位聚合物，[Cu-2（mu-Naber）（mu（1,1）-N-3）（2）]（n）（n）（n）（n）（n）（2-）= 1,3-双（萘基铟氨基）丙烷Dianion）被合成和表征。 1D支链由具有不同供体原子的两种类型的略微不同，方形金字塔，Cu（II）离子构成。温度和现场依赖性磁性分析揭示了由链叠氮化物桥介导的主链（Cu-2）中的铜中心之间的反铁磁相互作用。铜中心Cu1（在主链的分支中）和Cu-2之间的相互作用非常弱，并且通过自己的Weiss恒定的θ'包括。来自同步数据的1的电子密度图表明Cu-2的D（x2-y2）的轨道由Procrystal模型不良好描述，这可能对磁性有意义。循环伏安法研究显示两种不同的氧化还原波，两种铜中心的氧化还原电位（1.21V）之间具有很大差异的差异。得到的数据与由单晶X射线衍射确定的该复合物的晶体结构一致。

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《RSC Advances》 |2015年第74期|共9页
作者
Fadaee Farzaneh; Amirnasr Mehdi; Prsa Krunoslav; Pattison Philip; Shaik Noore Elahi; Ronnow Henrik M.; Esrafili Mehdi D.; Omrani Arash A.; Amiri Ahmad; Schenk-Joss Kurt;
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Isfahan Univ Technol Dept Chem Esfahan 8415683111 Iran;

Isfahan Univ Technol Dept Chem Esfahan 8415683111 Iran;

Ecole Polytech Fed Lausanne LQM CH-1015 Lausanne Switzerland;

Ecole Polytech Fed Lausanne CCC IPSB CH-1015 Lausanne Switzerland;

Ecole Polytech Fed Lausanne LQM CH-1015 Lausanne Switzerland;

Ecole Polytech Fed Lausanne LQM CH-1015 Lausanne Switzerland;

Univ Maragheh Dept Chem Lab Theoret Chem Maragheh Iran;

Ecole Polytech Fed Lausanne LQM CH-1015 Lausanne Switzerland;

Univ Tehran Coll Sci Sch Chem Tehran 141556455 Iran;

Ecole Polytech Fed Lausanne CCC IPSB CH-1015 Lausanne Switzerland;

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1. Intrachain antiferromagnetic exchange in a 1D branched-chain built of two different copper(II) centres interlinked by end-on azido and phenoxo bridges: electron density map, electrochemical and magnetic properties [J] . Fadaee Farzaneh, Amirnasr Mehdi, Prsa Krunoslav, RSC Advances . 2015,第74期

机译：Intrachain反铁磁交换在1D支链中，由两种不同的铜（II）中心相互关联，通过终止αzIDO和苯氧基桥梁相互连接：电子密度图，电化学和磁性
2. A new end-on azido bridged Mn~(III) single-chain magnet and its dimeric single molecule magnet polymorph. Synthesis, structure and magnetic properties of [Mn(5-Clsalpn)N_3]_n and phenoxo bridged [Mn(5-Clsalpn)N_3]_2 [J] . Bhargavi G., Rajasekharan M.V., Costes J.-P., Dalton transactions: An international journal of inorganic chemistry . 2013,第22期

机译：一种新型端基叠氮基桥接Mn〜（III）单链磁体及其二聚体单分子磁体多晶型物。 [Mn（5-Clsalpn）N_3] _n和苯氧桥[Mn（5-Clsalpn）N_3] _2的合成，结构和磁性
3. Synthesis, structures, and magnetic properties of two tetranuclear copper complexes with end-on azido and phenoxo bridges containing Chiral Schiff base ligands [J] . Hou X.-K., Wu L.-F., Xiao H.-P., Zeitschrift fur Anorganische und Allgemeine Chemie . 2013,第3a4期

机译：具有端基叠氮基和苯氧基含手性席夫碱配体的两种四核铜配合物的合成，结构和磁性
4. Ground State Electronic and Magnetic Properties of a μ3-Oxo Bridged Trinuclear Cu(II) Complex: Correlation to the Native Intermediate of the Multicopper Oxidases [O] . Jungjoo Yoon, Edward I. Solomon -1

机译：μ3-Oxo桥联的三核Cu（II）配合物的基态电子和磁性性质：与Multicopper氧化酶的天然中间体的相关性。
5. A dinuclear end-on azide-bridged copper(II) compound with weak antiferromagnetic interaction-Synthesis, characterization, magnetism and X-ray structure of bis(μ-azido-κN1)-(azido-κN1)(1,3-bis(benzimidazol- 2-yl)-2-methylpropane)copper(II) [O] . Albada Gerard A. van, Mutikainen Ilpo, Roubeau Olivier, 2015

机译：具有弱反铁磁相互作用的双核末端叠氮桥联铜（II）化合物-bis （（μ-叠氮基-κN1）-（azido-κN1）（1,3-bis））的合成，表征，磁性和X射线结构（苯并咪唑-2-基）-2-甲基丙烷）铜（II）

Intrachain antiferromagnetic exchange in a 1D branched-chain built of two different copper(II) centres interlinked by end-on azido and phenoxo bridges: electron density map, electrochemical and magnetic properties

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