bis((amino(2-(4-methoxybenzylidene)hydrazineyl)methylene)-l4-sulfaneyl)zinc(IV) bromide | 270061-41-1

• 英文名称: bis((amino(2-(4-methoxybenzylidene)hydrazineyl)methylene)-l4-sulfaneyl)zinc(IV) bromide
• CAS: 270061-41-1
• 化学式: C₁₈H₂₂Br₂N₆O₂S₂Zn
• 分子量: 643.742
• InChiKey: UJLIDHMUVQQMMX-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  4-methoxybenzylidene thiosemicarbazone 、 zinc dibromide 以 乙醇 为溶剂， 以73%的产率得到bis((amino(2-(4-methoxybenzylidene)hydrazineyl)methylene)-l4-sulfaneyl)zinc(IV) bromide
  参考文献：
  名称：

  Structural characterization and second-order nonlinear optical properties of zinc halide thiosemicarbazone complexes

  摘要：

  Three zinc(11) halide complexes ZnL2X2 (X = Cl, Br, 1; L = 4-methoxylbenzaldehyde thiosemicarbazone) have been synthesized and characterized by spectroscopic techniques. The complexes exhibit powder SHG efficiency approximately ten times higher than that of urea. The molecular hyperpolarizabilities are calculated to be -2.6 x 10(-30) esu for the free ligand L, and -4.6 x 10(-30), -6.2 x 10(-30), -10.1 x 10(-30) esu for the three zinc complexes, respectively. The former two complexes crystallize in the noncentrosymmetric space group Aba2, whilst ZnL2I2 crystallizes in the centrosymmetric space group P2(1)/c and does not exhibit any SHG efficiency. The zinc(11) atom in these complexes is tetrahedrally coordinated by two neutral sulfur atoms from the corresponding thiosemicarbazones and two halide anions. The relationships between the molecular structures and nonlinear optical properties were studied based on theoretical calculation and experimental determination methods. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(02)01004-5