dichlorobis(diacetyl monooxime (4-phenyl)thiosemicarbazonato)dicopper(II) | 1337568-43-0

• 英文名称: dichlorobis(diacetyl monooxime (4-phenyl)thiosemicarbazonato)dicopper(II)
• CAS: 1337568-43-0；71414-94-3
• 化学式: C₂₂H₂₆Cl₂Cu₂N₈O₂S₂
• 分子量: 696.631
• InChiKey: KMRFDIMPRKPZAV-QKBVSMGCSA-J

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：

  盐酸 、 copper(II) choride dihydrate 、 1-(3-hydroxyiminobutan-2-ylidene)-4-phenylthiosemicarbazide 以 乙醇 为溶剂， 以67%的产率得到dichlorobis(diacetyl monooxime (4-phenyl)thiosemicarbazonato)dicopper(II)
  参考文献：
  名称：

  Study of copper(II) complexes of two diacetyl monooxime thiosemicarbazones: X-ray crystal structure and magneto-structural correlation of [Cu(dmoTSCH)Cl]2·H2O (dmoTSCH=monoanion of diacetyl monooxime thiosemicarbazone)

  摘要：

  Cu(II) complexes of the tridentate thiosemicarbazone ligands diacetyl monooxime thiosemicarbazone (dmoTSCH(2)) and diacetyl monooxime (4-phenyl)thiosemicarbazone (dmoPhTSCH(2)) have been synthesized. X-ray crystal structures of dmoPhTSCH(2) and [Cu(dmoTSCH)Cl](2)center dot H2O (1 center dot H2O) are also reported. The Cu(II) compound 1 center dot H2O is a dinuclear complex, where the Cu(II) centers have a square pyramidal geometry and are bridged by two thiolato ligands. A C-2 axis passes through the middle of Cu2S2 rectangle. Variable temperature susceptibility measurement for 1 center dot H2O shows that this compound exhibits a very weak antiferromagnetic behavior (in the solid state) with J(1) = -2.97 cm(-1), using the Heisenberg isotropic spin Hamiltonian (H = -J(1)S(1)center dot S-2). DFT calculations show that the intramolecular magnetic interaction should be ferromagnetic, and the net antiferromagnetic behavior is due to competition with antiferromagnetic intermolecular interactions through hydrogen bonds. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.12.042