copper(1+);(2,6-dimethylphenyl)-[N-(2,6-dimethylphenyl)-C-(4-nitrophenyl)carbonimidoyl]azanide | 871331-63-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: copper(1+);(2,6-dimethylphenyl)-[N-(2,6-dimethylphenyl)-C-(4-nitrophenyl)carbonimidoyl]azanide
• CAS: 871331-63-4
• 化学式: C₄₆H₄₄Cu₂N₆O₄
• 分子量: 871.985
• InChiKey: DJTMFMUXIICNGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.22
• 重原子数：
  58
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  118
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  、 copper(1+);(2,6-dimethylphenyl)-[N-(2,6-dimethylphenyl)-C-(4-nitrophenyl)carbonimidoyl]azanide 以 not given 为溶剂， 生成
  参考文献：
  名称：

  How Bulky Is a Bulky Ligand:  Energetic Consequences of Steric Constraint in Ligand-Directed Cluster Assembly and Disassembly

  摘要：

  Steric tuning of N-aryl groups of homologous amidinate ligands affords discrete dimeric and tetrameric copper(I) clusters in solid state, but they undergo dynamic dimer-dimer and tetramer-dimer interconversion in solution. A delicate interplay between steric constraint and mechanical stability shapes the reaction coordinate of this process. Thermodynamic and kinetic parameters dictating such cluster assembly and disassembly immediately suggest a means to experimentally quantify energies that are associated with ligand steric bulk.

  DOI：

  10.1021/ja055225u
• 作为产物：
  描述：

  铜 、 以 not given 为溶剂， 生成 copper(1+);(2,6-dimethylphenyl)-[N-(2,6-dimethylphenyl)-C-(4-nitrophenyl)carbonimidoyl]azanide
  参考文献：
  名称：

  How Bulky Is a Bulky Ligand:  Energetic Consequences of Steric Constraint in Ligand-Directed Cluster Assembly and Disassembly

  摘要：

  Steric tuning of N-aryl groups of homologous amidinate ligands affords discrete dimeric and tetrameric copper(I) clusters in solid state, but they undergo dynamic dimer-dimer and tetramer-dimer interconversion in solution. A delicate interplay between steric constraint and mechanical stability shapes the reaction coordinate of this process. Thermodynamic and kinetic parameters dictating such cluster assembly and disassembly immediately suggest a means to experimentally quantify energies that are associated with ligand steric bulk.

  DOI：

  10.1021/ja055225u