[(bis(1-methyl-2-imidazolyl)ketone) gold(III) (chloride)2] chloride*methanol | 912935-05-8

• 英文名称: [(bis(1-methyl-2-imidazolyl)ketone) gold(III) (chloride)2] chloride*methanol
• CAS: 912935-05-8
• 化学式: CH₄O*C₉H₁₀AuCl₂N₄O*Cl
• 分子量: 525.572
• InChiKey: ZCIFSUZVAIXVAQ-UHFFFAOYSA-K

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：

  甲醇 、 potassium tetrachloroaurate(III) 、 BMIK 双(1-甲基-2-咪唑基)甲酮 以 甲醇 为溶剂， 以69%的产率得到[(bis(1-methyl-2-imidazolyl)ketone) gold(III) (chloride)2] chloride*methanol
  参考文献：
  名称：

  Dichlorogold(III) complexes of bis(1-methyl-2-imidazolyl)ketone and related ligands: Geometrical and electronic structures

  摘要：

  The ligand bis(1-methyl-2-imidazolyl)ketone (bik) was studied by DFT with respect to the energy minimum conformation in the neutral and the anion radical state. The hitherto unknown crystal structure of bik is reported. X-ray diffraction studies of cationic dichlorogold(III) complexes with bik and the related bis(1-methyl-2-imidazolyl)methoxymethane and bis(1-methyl-2-imidazolyl)hydroxymethane ligands showed the DFT-supported N,N'-coordination to form six-membered chelate rings. The LUMO of [(bik)AuCl2](+) was calculated as Au-Cl centered in agreement with electrochemical and EPR results. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.03.008