((Re(CO)3)2(2,2'bisbenzimidazolate))2-μ,μ'-(pyrazine)2 | 790665-67-7

• 英文名称: ((Re(CO)3)2(2,2'bisbenzimidazolate))2-μ,μ'-(pyrazine)2
• 英文别名: ((Re(CO)3)2BiBzIm))2-μ,μ'-(pyrz)2
• CAS: 790665-67-7
• 化学式: C₄₈H₂₄N₁₂O₁₂Re₄
• 分子量: 1705.62
• InChiKey: HEGZEPVWELXRPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 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：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  四氢呋喃 、 ((Re(CO)3)2(2,2'bisbenzimidazolate))2-μ,μ'-(pyrazine)2 、 1,2-二氯乙烷 以 四氢呋喃 、 环己烷 、 1,2-二氯乙烷 为溶剂， 生成 ((Re(CO)3)2BiBzIm))2-μ,μ'-(pyrz)2*1,2-dichloroethane*THF
  参考文献：
  名称：

  Rhenium-Based Molecular Rectangles as Frameworks for Ligand-Centered Mixed Valency and Optical Electron Transfer

  摘要：

  A series of six neutral, tetrametallic, molecular rectangles has been synthesized that have the form ([Re(CO)(3)](2)BiBzlm)2-mu,mu'-(LL)(2), where BiBzlm is 2,2'-bisbenzimidazolate and LL is a reducible, dipyridyl or diazine ligand. X-ray crystallographic studies of the six show that the rectangle frameworks, as defined by the metal atoms, range in size from 5.7 Angstrom x 7.2 Angstrom to 5.7 Angstrom x 19.8 Angstrom. The singly reduced rectangles are members of an unusual category of mixed-valence compounds in which the ligands themselves are the redox centers and interligand electronic communication is controlled by direct ligand orbital overlap rather than by superexchange through the metal ions. Despite nominally identical coordination-defined ligand positioning, the spectrally determined electronic strengths, H-ab(2), vary by roughly 100-fold. As shown by X-ray crystallography and computational modeling, the observed differences largely reflect detailed geometric configurational differences that can either facilitate or frustrate productive direct orbital overlap.

  DOI：

  10.1021/ja0473182
• 作为产物：
  描述：

  吡嗪 、 [((CO)4Re)2(bibenzimidazolate)] 以 四氢呋喃 为溶剂， 以43%的产率得到((Re(CO)3)2(2,2'bisbenzimidazolate))2-μ,μ'-(pyrazine)2
  参考文献：
  名称：

  Rhenium-Based Molecular Rectangles as Frameworks for Ligand-Centered Mixed Valency and Optical Electron Transfer

  摘要：

  A series of six neutral, tetrametallic, molecular rectangles has been synthesized that have the form ([Re(CO)(3)](2)BiBzlm)2-mu,mu'-(LL)(2), where BiBzlm is 2,2'-bisbenzimidazolate and LL is a reducible, dipyridyl or diazine ligand. X-ray crystallographic studies of the six show that the rectangle frameworks, as defined by the metal atoms, range in size from 5.7 Angstrom x 7.2 Angstrom to 5.7 Angstrom x 19.8 Angstrom. The singly reduced rectangles are members of an unusual category of mixed-valence compounds in which the ligands themselves are the redox centers and interligand electronic communication is controlled by direct ligand orbital overlap rather than by superexchange through the metal ions. Despite nominally identical coordination-defined ligand positioning, the spectrally determined electronic strengths, H-ab(2), vary by roughly 100-fold. As shown by X-ray crystallography and computational modeling, the observed differences largely reflect detailed geometric configurational differences that can either facilitate or frustrate productive direct orbital overlap.

  DOI：

  10.1021/ja0473182