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Modeling Spin Interactions in a Cyclic Trimer and a Cuboidal Co_4O_4 Core with Co(ll)in Tetrahedral and Octahedral Environments

机译:在四面体和八面体环境中模拟循环三聚物和具有Co(II)的长方体Co_4O_4核中的自旋相互作用

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摘要

The X-ray crystallographic structures,the magnetic susceptibilities from 2 to 300 K,and a theoretical analysis of the magnetism for a triangular and a tetranuclear molecule consisting of linked high-spin cobalt(ll)centers are described.The interpretation of the magnetic data for the triangular compound [Co(depa)CI]_3(depa is the anion of 2,2'-(bis-4-ethylpyridyl)amine),which has tetrahedrally coordinated Co~(2+)ions,entails isotropic antiferromagnetic exchange interaction and antisymmetric exchange acting within the two low-lying spin doublets.Two strong isotropic ferromagnetic interactions have been modeled in the cuboidal compound Co_4(DPM)_4(CH_3OMCH_3OH)_4(DPM represents the anion of dipivaloylmethane),which has octahedral coordination,and the system can be approximately considered as two weakly coupled S = 3 species.
机译:描述了X射线晶体学结构,2至300 K的磁化率以及对由连接的高自旋钴(II)中心组成的三角形和四核分子的磁性进行的理论分析。磁数据的解释对于三角形化合物[Co(depa)CI] _3(depa是2,2'-(双-4-乙基吡啶基)胺的阴离子),它具有四面体配位的Co〜(2+)离子,可引起各向同性反铁磁交换相互作用在立方形化合物Co_4(DPM)_4(CH_3OMCH_3OH)_4(DPM代表二戊酰基甲烷的阴离子)中模拟了两个强的各向同性铁磁相互作用,并且具有八面体配位。系统可以近似地认为是两个弱耦合的S = 3种。

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  • 来源
    《Journal of the American Chemical Society》 |2005年第13期|p.4895-4902|共8页
  • 作者单位

    Contribution from the Department of Chemistry and Laboratory for Molecular Structure and Bonding,P.O.Box 30012,Texas A&M University,College Station,Terns 77842-3012,Department of Chemistry,Ben-Gurion University of the Negev,P.O.Box 653,Beer-Sheva 841;

    Contribution from the Department of Chemistry and Laboratory for Molecular Structure and Bonding,P.O.Box 30012,Texas A&M University,College Station,Terns 77842-3012,Department of Chemistry,Ben-Gurion University of the Negev,P.O.Box 653,Beer-Sheva 841;

    Contribution from the Department of Chemistry and Laboratory for Molecular Structure and Bonding,P.O.Box 30012,Texas A&M University,College Station,Terns 77842-3012,Department of Chemistry,Ben-Gurion University of the Negev,P.O.Box 653,Beer-Sheva 841;

    Contribution from the Department of Chemistry and Laboratory for Molecular Structure and Bonding,P.O.Box 30012,Texas A&M University,College Station,Terns 77842-3012,Department of Chemistry,Ben-Gurion University of the Negev,P.O.Box 653,Beer-Sheva 841;

    Contribution from the Department of Chemistry and Laboratory for Molecular Structure and Bonding,P.O.Box 30012,Texas A&M University,College Station,Terns 77842-3012,Department of Chemistry,Ben-Gurion University of the Negev,P.O.Box 653,Beer-Sheva 841;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类 化学;
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