Pd(SCN)₂(1-benzyl-2-methylimidazole)₂ | 1421070-24-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: Pd(SCN)₂(1-benzyl-2-methylimidazole)₂
• 英文别名: Pd(SCN)₂(PhCHImCH)₂
• CAS: 1421070-24-7
• 化学式: C₂₄H₂₄N₆PdS₂
• 分子量: 567.047
• InChiKey: GDISSHNNZCFCCV-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：

  1-苄基-2-甲基咪唑 、 ammonium thiocyanate 、 palladium dichloride 以 乙腈 为溶剂， 反应 2.0h， 以92%的产率得到Pd(SCN)₂(1-benzyl-2-methylimidazole)₂
  参考文献：
  名称：

  Characterization, molecular structures and fluorescent properties of Pd(II) and Ni(II) complexes with 1-benzyl-2-methylimidazole

  摘要：

  The paper presents a combined experimental and computational study of Pd(II) and Ni(II) complexes containing chloride, thiocyanate and 1-benzyl-2-methylimidazole ligands. The complexes were studied by IR, H-1 NMR, UV-Vis spectroscopy and X-ray crystallography. Electronic structures of the complexes have been calculated using the density functional theory (DFT) method. Spin-allowed electronic transitions have been calculated using the time-dependent DFT method and the UV-Vis spectrum has been discussed on this basis. Luminescence properties of the complexes have been examined. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.11.047