Magneto-structural characterization of tetranuclear copper(II) complex [Cu-4(pz)(4)L-2]center dot(ClO4) (LH=1,3-diamino-2-propanol, Hpz=pyrazole)

Kavlakoglu E.; Elmali A.; Elerman Y.; Svoboda I.

首页> 外文期刊>Polyhedron: The International Journal for Inorganic and Organometallic Chemistry >Magneto-structural characterization of tetranuclear copper(II) complex [Cu-4(pz)(4)L-2]center dot(ClO4) (LH=1,3-diamino-2-propanol, Hpz=pyrazole)

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Magneto-structural characterization of tetranuclear copper(II) complex [Cu-4(pz)(4)L-2]center dot(ClO4) (LH=1,3-diamino-2-propanol, Hpz=pyrazole)

机译：四核铜（II）配合物[Cu-4（pz）（4）L-2]中心点（ClO4）（LH = 1,3-diamino-2-propanol，Hpz = pyrazole）的磁结构表征

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The title compound C18H30ClCu4N12O6 has been synthesized and its crystal Structure and magnetic properties determined. The compound contains a tetranuclear copper(II) complex in which two dimeric units are bridged by two pyrazolate ligands and a perchlorate anion which is bound to the tetrameric unit by hydrogen bonds in the asymmetric unit. In each dimeric moiety the two copper(II) ions are bridged by the alkoxo group of the ligand and an additional pyrazolate ligand, these dimers are then bridged by two pyrazolate ions to form the tetranuclear complex. Magnetic susceptibilities for the compound in the solid state Lire measured over the temperature range 4.5-306.8 K. The experimental magnetic Susceptibilities were fitted to the Bleaney-Bowers equation for a spin-coupled S = 1/2 system in which the singlet-triplet separation is 2J. The title compound shows weak antiferromagnetic coupling with a best fit J value -98.5 cm(-1). The alkoxo oxygen bridge is one of the principal pathways for the super-exchange interaction and the weak antiferromagnetic coupling of the complex is interpreted in terms of the countercomplementary effect of the different bridging ligands which participate in the super-exchange interactions. The ab initio restricted Hartree-Fock molecular orbital calculation has shown that the pyrazolate bridge contributes to magnetic interaction countercomplementarily to the alkoxide bridge. (C) 2002 Elsevier Science Ltd. All rights reserved. [References: 37]

机译：合成了标题化合物C18H30ClCu4N12O6，并确定了其晶体结构和磁性能。该化合物包含四核铜（II）络合物，其中两个二聚体单元被两个吡唑酸酯配体桥接，高氯酸根阴离子通过不对称单元中的氢键与四聚体单元键合。在每个二聚体部分中，两个铜（II）离子被配体和另一个吡唑酸酯配体的烷氧基桥接，然后这些二聚体被两个吡唑酸酯离子桥接以形成四核配合物。在4.5-306.8 K的温度范围内对固态Lire化合物的磁化率进行了测量。对于自旋耦合S = 1/2系统（其中单峰-三重态分离），将实验磁化率拟合到Bleaney-Bowers方程中是2J。标题化合物显示弱反铁磁耦合，最佳拟合J值为-98.5 cm（-1）。烷氧基氧桥是超交换相互作用的主要途径之一，并且根据参与超交换相互作用的不同桥联配体的反互补作用来解释复合物的弱反铁磁偶联。从头开始受限的Hartree-Fock分子轨道计算表明，吡唑酸酯桥与烷氧基桥相反，有助于磁相互作用。（C）2002 Elsevier ScienceLtd。保留所有权利。 [参考：37]

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《Polyhedron: The International Journal for Inorganic and Organometallic Chemistry》 |2002年第16期|共7页
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Kavlakoglu E.; Elmali A.; Elerman Y.; Svoboda I.;
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机译：四核铜（II）配合物[Cu-4（pz）（4）L-2]中心点（ClO4）（LH = 1,3-diamino-2-propanol，Hpz = pyrazole）的磁结构表征
2. Spontaneous self-assembly of an unsymmetric trinuclear triangular copper(II) pyrazolate complex, [Cu-3(mu(3)-OH)(mu-pz)(3)(MeCOO)(2)(Hpz)] (Hpz = pyrazole). synthesis, experimental and theoretical characterization, reactivity, and catalytic activity [J] . Casarin M, Corvaja C, di Nicola C, Inorganic Chemistry: A Research Journal that Includes Bioinorganic, Catalytic, Organometallic, Solid-State, and Synthetic Chemistry and Reaction Dynamics . 2004,第19期

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Magneto-structural characterization of tetranuclear copper(II) complex [Cu-4(pz)(4)L-2]center dot(ClO4) (LH=1,3-diamino-2-propanol, Hpz=pyrazole)

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