Pd(2-hydrazino-2-imidazoline)Cl2 | 773852-80-5

• 英文名称: Pd(2-hydrazino-2-imidazoline)Cl2
• 英文别名: Pd(hi)Cl2
• CAS: 773852-80-5
• 化学式: C₃H₈Cl₂N₄Pd
• 分子量: 277.449
• InChiKey: YXZNATHBVGXYOS-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  4,5-二氰咪唑-2-肼溴化氢 、 palladium dichloride 在 silver nitrate 作用下， 以 水 为溶剂， 生成 Pd(2-hydrazino-2-imidazoline)Cl2
  参考文献：
  名称：

  Synthesis and vibrational spectroscopy of new palladium(II) complexes with 2-hydrazino-2-imidazoline. Band assignment based on isotope substitution and density functional calculations

  摘要：

  The novel complexes of formula [Pd(hi)X-2] (hi-2hydrazino-2-imidazoline; X-Cl, Br) were investigated by vibrational spectroscopy and quantum-mechanical methods. The experimental band assignment was supported by measured metal isotope shifts and deuteration effects. Both experiments were reproduced in DFT calculations and used as additional criteria verifying the computed data. All normal vibrations were characterized in terms of potential energy distribution. The stretching vibration of Pd(II)-imidazoline bond was observed at about 220 cm(-1). The vibrational coupling of most metal coordination sphere modes and ligand vibrations was found. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2004.02.049