[bis(μ-N,N'-bis(2,6-dimethylphenyl)benzamidinate)dicopper(I)] | 849698-95-9

• 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: [bis(μ-N,N'-bis(2,6-dimethylphenyl)benzamidinate)dicopper(I)]
• CAS: 849698-95-9
• 化学式: C₄₆H₄₆Cu₂N₄
• 分子量: 781.99
• InChiKey: XUDXPXAUTDGNCA-UHFFFAOYSA-N

计算性质

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

反应信息

• 作为反应物：
  描述：

  [bis(μ-N,N'-bis(2,6-dimethylphenyl)benzamidinate)dicopper(I)] 、 [C-(4-bromophenyl)-N-(2,6-dimethylphenyl)carbonimidoyl]-(2,6-dimethylphenyl)azanide;copper(1+) 以 氘代氯仿 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 [bis(μ-N,N'-bis(2,6-dimethylphenyl)benzamidinate)dicopper(I)]
  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

文献信息

• Copper clusters built on bulky amidinate ligands: spin delocalization via superexchange rather than direct metal–metal bonding
  作者：Xuan Jiang、John C. Bollinger、Mu-Hyun Baik、Dongwhan Lee

  DOI：10.1039/b412152j

  日期：——

  Entry into a new class of tetra- and dicopper clusters was assisted by a fine steric tuning of bulky amidinate ligands that provide spin-delocalizing superexchange pathways in class III mixed-valence clusters, the properties of which are best understood without invoking metal-metal bonding.

  庞大的a基配位体的精细空间调节有助于进入新型的四铜和双铜簇，这可在III类混合价簇中提供自旋离域的超交换途径，而无需调用金属-金属键就可以最好地理解其性能。 。