CoCl₂(2-amino-1,3-diazabenzene)₂ | 944912-09-8

• 英文名称: CoCl₂(2-amino-1,3-diazabenzene)₂
• 英文别名: CoCl₂(2-aminopyrimidine)₂；CoCl2(NH2pymd)2
• CAS: 944912-09-8
• 化学式: C₈H₁₀Cl₂CoN₆
• 分子量: 320.107
• InChiKey: LLYNUUURBQCDJV-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  1,3,5-三嗪-2,4,6-三胺,N,N'''-1,2-乙二基二[N-[3-[[4,6-二[丁基(2,2,6,6-四甲基-4-哌啶基)氨基]-1,3,5-三嗪-2-基]氨基]丙基]-N,N''-二丁基-N,N''-二(2,2,6,6-四甲基-4-哌啶基)- 、 cobalt(II) chloride hexahydrate 以 乙醇 为溶剂， 生成 CoCl₂(2-amino-1,3-diazabenzene)₂
  参考文献：
  名称：

  Zero-field splitting in tetracoordinate Co(II) complexes

  摘要：

  Mononuclear Co(II) complexes of the [CoCl2L2] family, with L being a heterocyclic N-donor ligand, were subjected to magnetochemical investigation. The temperature dependence of the magnetic susceptibility and the field dependence of the magnetization have been analyzed simultaneously in terms of the spin Hamiltonian formalism. The magnetic parameters obtained by a fitting procedure show a considerable magnetic anisotropy measured by the g-factor difference and the zero-field splitting parameter 2D, that splits the ground term B-4(1)(D-2d) and/or (4)A(2)(C-2v). (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.01.023

文献信息

• Magnetism, IR and Raman spectra of a tetracoordinate and hexacoordinate Co(II) complexes derived from aminopyrimidine
  作者：M. Idešicová、R. Boča

  DOI：10.1016/j.ica.2013.09.002

  日期：2013.11

  Two mononuclear Co(II) complexes of the [CoCl2L2] and [CoCl2L4] family, with L being a heterocyclic Ndonor ligand-2-aminopyrimidine were prepared and subjected to magnetochemical investigation. Temperature dependence of the magnetic susceptibility and the field dependence of magnetization have been analyzed simultaneously in terms of the spin Hamiltonian formalism. The magnetic parameters obtained by a fitting procedure show a considerable magnetic anisotropy measured by the g-factor difference and the zero-field splitting parameter 2D, which splits the ground B-4(1)(D-2d) term and/or (4)A(1)g(D-4h) term. The temperature dependence of the Far-IR spectra for the centrosymmetric hexacoordinate complex shows variable-temperature absorption peaks which yield the value of the zero-field energy gap DIR = 455 cm(-1). Raman spectra, ab initio and DFT calculations assist in an accurate assignment of the absorption peaks. (C) 2013 Elsevier B.V. All rights reserved.