[Ru(bibenzimidazolate)(4,4'-di-tert-butyl-2,2'-bipyridine)2] | 264264-61-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: [Ru(bibenzimidazolate)(4,4'-di-tert-butyl-2,2'-bipyridine)2]
• 英文别名: [Ru(4,4'-tert-butyl-2,2'-bipyridyl)2(C7H4N2C7H4N2)]；[Ru(bibzim)(tbbpy)2]
• CAS: 264264-61-1
• 化学式: C₅₀H₅₆N₈Ru
• 分子量: 870.118
• InChiKey: PDWDMCBIACXPFI-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：

  tetrakis(acetonitrile)copper(I)tetrafluoroborate 、 [Ru(bibenzimidazolate)(4,4'-di-tert-butyl-2,2'-bipyridine)2] 以 四氢呋喃 为溶剂， 生成 [Ru(4,4'-tert-butyl-2,2'-bipyridyl)2(C7H4N2C7H4N2)CuBF4]
  参考文献：
  名称：

  A Bibenzimidazole-Containing Ruthenium(II) Complex Acting as a Cation-Driven Molecular Switch

  摘要：

  The luminescence of a ruthenium bibenzimidazole complex can be switched on by the presence of Zn(II), Mg(II), and Cu(I) compounds. Complexation of these metals to the ruthenium center is confirmed by electrospray mass spectrometry.

  DOI：

  10.1021/ic991225h
• 作为产物：
  描述：

  bibenzimidazolebis(4,4'-tert-butyl-2,2'-bipyridyl)ruthenium(II) chloride 在 NaOH 作用下， 以 甲醇 为溶剂， 生成 [Ru(bibenzimidazolate)(4,4'-di-tert-butyl-2,2'-bipyridine)2]
  参考文献：
  名称：

  A Bibenzimidazole-Containing Ruthenium(II) Complex Acting as a Cation-Driven Molecular Switch

  摘要：

  The luminescence of a ruthenium bibenzimidazole complex can be switched on by the presence of Zn(II), Mg(II), and Cu(I) compounds. Complexation of these metals to the ruthenium center is confirmed by electrospray mass spectrometry.

  DOI：

  10.1021/ic991225h

文献信息

• Bis(R-bipyridyl)ruthenium bibenzimidazole complexes (R = H, Me or But ): supramolecular arrangement via hydrogen bonds, photo- and electro-chemical properties and reactivity towards carbon dioxide
  作者：Sven Rau、Mario Ruben、Torsten Büttner、Christian Temme、Sylvana Dautz、Helmar Görls、Manfred Rudolph、Dirk Walther、Andre Brodkorb、Marco Duati、Christine O’Connor、Johannes G. Vos

  DOI：10.1039/b003992f

  日期：——

  Complexes of the type [Ru(H2bibzim)(R-bpy)2X2·nH2O (R = H, 2,2′-bipyridine, bpy, X = CF3SO3−1; R = Me, 4,4′-dimethyl-2,2′-bipyridine, dmbpy, X = PF6−2; R = tert-butyl, 4,4′-di-tert-butyl-2,2′-bipyridine, tbbpy, X = Cl−3; H2bibzim = 1,1′-bibenzimidazole) containing two NH functions acting as hydrogen bond donors formed different spatially highly organised supramolecular assemblies with water. X-Ray investigation revealed that the nature of the counter ion influences the hydrogen bonding pattern and extent of spatial organisation. In 2 one dimensional chains of hydrogen bonded water could be found. In the deprotonated complex [Ru(bibzim)(tbbpy)2] 4 water molecules serve as hydrogen bond donors. The diastereomeric forms 5a/5b of the homodinuclear ruthenium complex [Ru(tbbpy)2}2(bibzim)][PF6]2 could be separated. No differences in their photophysical properties could be detected. The X-ray investigation of 5a and [Ru(bpy)2}2(bibzim)][PF6]26 showed little influence of peripheral substitution on structural properties. Complexes 3–5 exhibit activity in electrochemical CO2 reduction which can be tuned by variation of the degree of protonation of the bibenzimidazole.

  [Ru(H2bibzim)(R-bpy)2X2·nH2O (R = H, 2,2'-联吡啶, bpy, X = CF3SO3−1; R = Me, 4,4'-二甲基-2, 2′-联吡啶，dmbpy，X=PF6−2；R=叔丁基，4,4′-二叔丁基-2,2′-联吡啶，tbbpy，X=Cl−3； '-联苯并咪唑）含有两个作为氢键供体的NH官能团，与水形成不同的空间高度组织的超分子组装体。 X 射线研究表明，反离子的性质影响氢键模式和空间组织的程度。在2个一维链中可以发现氢键水。在去质子化复合物 [Ru(bibzim)(tbbpy)2] 4 中，水分子充当氢键供体。可以分离同双核钌配合物 [Ru(tbbpy)2}2(bibzim)][PF6]2 的非对映体形式 5a/5b。未检测到它们的光物理特性存在差异。 5a 和 [Ru(bpy)2}2(bibzim)][PF6]26 的 X 射线研究显示外围取代对结构性质的影响很小。配合物 3-5 表现出电化学 CO2 还原活性，可通过联苯并咪唑质子化程度的变化进行调节。