[Mg2Cl3(THF)6][tetraphenylaluminate] | 1290604-64-6

• 英文名称: [Mg2Cl3(THF)6][tetraphenylaluminate]
• CAS: 1290604-64-6
• 化学式: C₂₄H₂₀Al*C₂₄H₄₈Cl₃Mg₂O₆
• 分子量: 923.015
• InChiKey: ATMDODVGWJXRRS-UHFFFAOYSA-K

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：

  四氢呋喃 、 三氯化铝 、 苯基氯化镁 以 四氢呋喃 为溶剂， 生成 [Mg2Cl3(THF)6][tetraphenylaluminate]
  参考文献：
  名称：

  Structural Analysis of Electrolyte Solutions for Rechargeable Mg Batteries by Stereoscopic Means and DFT Calculations

  摘要：

  We present a rigorous analysis of unique, wide electrochemical window solutions for rechargeable magnesium batteries, based on aromatic ligands containing organometallic complexes. These solutions are comprised of the transmetalation reaction products of PhxMgCl2-x and PhyAlCl3-y in different proportions, in THF. In principle, these reactions involve the exchange of ligands between the magnesium and the aluminum based compounds, forming ionic species and neutral molecules, such as Mg2Cl3+center dot 6THF, MgCl2 center dot 4THF, and PhyAlCl4-y- (y = 0-4). The identification of the equilibrium species in the solutions is carried out by a combination of Raman spectroscopy, multinuclear NMR, and single-crystal XRD analyses. The association of the spectroscopic results with explicit identifiable species is supported by spectral analyses of specially synthesized reference compounds and DFT quantum-mechanical calculations. The correlation between the identified solution equilibrium species and the electrochemical anodic stability window is investigated. This study advances both development of new nonaqueous solution chemistry and possible development of high-energy density rechargeable Mg batteries.

  DOI：

  10.1021/ja1098512

文献信息

• Atom-efficient synthesis of a benchmark electrolyte for magnesium battery applications
  作者：Scott A. Brown、Serena A. Cussen、Rhiannon Kennard、Sofia Marchesini、Jethro J. Pryke、Annabel Rae、Stuart D. Robertson、Rudra N. Samajdar、Andrew J. Wain

  DOI：10.1039/d2cc03290b

  日期：——

  The Mg battery electrolyte complex [Mg₂Cl₃]⁺ [AlPh₄]⁻ is prepared in high yield with 100% atom economy via a AlCl₃/MgPh₂ ligand exchange reaction. Spectroscopic studies suggest a simpler solution ionic composition than seen previously whilst maintaining high electrochemical performance.

  Mg电池电解质复合物[Mg₂Cl₃]⁺ [AlPh₄]⁻通过AlCl₃/MgPh₂配体交换反应高产率制备，原子经济效率达100%。光谱研究表明，该溶液离子组成比以前更简单，同时保持高电化学性能。