[(1,3-dimethyl-2-methylene-2,3-dihydro-1H-imidazole)₂GaCl₂][GaCl₄] | 1416008-41-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [(1,3-dimethyl-2-methylene-2,3-dihydro-1H-imidazole)₂GaCl₂][GaCl₄]
• 英文别名: digallium;2-methanidyl-1,3-dimethylimidazol-1-ium;hexachloride
• CAS: 1416008-41-7
• 化学式: C₁₂H₂₀Cl₂GaN₄*Cl₄Ga
• 分子量: 572.482
• InChiKey: VVPGGJOYLGYRGZ-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
  -18.67
• 重原子数：
  24
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  17.6
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  gallium(III) trichloride 、 1,3-dimethyl-2-methylene-2,3-dihydro-1H-imidazole 以 四氢呋喃 为溶剂， 反应 12.0h， 以70%的产率得到[(1,3-dimethyl-2-methylene-2,3-dihydro-1H-imidazole)₂GaCl₂][GaCl₄]
  参考文献：
  名称：

  Molecular versus Ionic Structures in Adducts of GaX₃ with Monodentate Carbon-Based Ligands

  摘要：

  A molecular donor-acceptor adduct has been isolated by the reaction of the N-heterocyclic carbene 1,3-dimethyl imidazol-2-ylidene (diMe-IMD) with GaCl3. In contrast, the structurally related, yet much more nucleophilic, 1,3-dimethyl-2-methylene-2,3-dihydro-1H-imidazole (diMe-MDI) gave rise to ion pairs of type [L2GaX2][GaX4], where X = Cl, Br, or I. With IBioxMe(4), a N-heterocyclic carbene that is more nucleophilic than diMe-IMD, the outcome of the reaction was dependent on the nature of the halide. Ionic 1:1 adducts between monodentate ligands and GaX3 salts have only one precedent in the literature. The peculiar behavior of carbon-based ligands was explained on the basis of their electronic properties and reaction kinetics.

  DOI：

  10.1021/ic302440g