trans-[Ru(2,2':6',2''-terpyridine)(4-carboxy-4'-methyl-2,2'-bipyridine)Cl][PF6] | 329769-39-3

• 英文名称: trans-[Ru(2,2':6',2''-terpyridine)(4-carboxy-4'-methyl-2,2'-bipyridine)Cl][PF6]
• 英文别名: [Ru(2,2':6',2''-terpyridine)(4-carboxy-4'-methyl-2,2'-bipyridine)Cl](PF6)；[Ru(terpy)(4-CO2H-4'-Mebpy)Cl](PF6)
• CAS: 329769-39-3；329769-41-7
• 化学式: C₂₇H₂₁ClN₅O₂Ru*F₆P
• 分子量: 728.983
• InChiKey: GZRWCLPLVSDWJG-UHFFFAOYSA-M

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：
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• sp3杂化的碳原子比例：
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• 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：

  ammonium hexafluorophosphate 、 trans-[Ru(2,2':6',2''-terpyridine)(4-carboxy-4'-methyl-2,2'-bipyridine)Cl][PF6] 、 sodium nitrite 在 HCl 作用下， 以 水 为溶剂， 以58%的产率得到[Ru(2,2':6',2''-terpyridine)(4-carboxy-4'-methyl-2,2'-bipyridine)NO](PF6)3
  参考文献：
  名称：

  硝基（低聚吡啶）钌（II）配合物的合成，表征和DNA结合研究。

  摘要：

  通式[RuII（terpy）（4-CO2H-4'-Mebpy）（X）] n +（X = NO（n = 3）和NO2（n = 1）; 1，2，2）和[RuII（合成并表征了terpy）（4-COGHK-4'-Mebpy）（X）]（X = NO（n = 3）和NO2（n = 1）; 3，4）。还通过X射线晶体学研究表征了[RuII（terpy）（4-CO2-4'-Mebpy）（NO2）] _ 7.5H2O。它在三斜晶系中结晶：a = 9.4982（1）A，b = 13.1330（1）A，c = 14.2498（2）A；alpha = 110.5870（6）x bc，beta = 98.4048（5）x bc，γ= 106.4353（5），P1，Z =2。晶体结构揭示了扩展的氢键网络。两个水分子与配合物两个独立单元的硝基和羧基氧原子形成强氢键，形成二聚体单元。二聚体由（H2O）15簇桥接，该簇由

  DOI：

  10.1021/ic0608039
• 作为产物：
  描述：

  ammonium hexafluorophosphate 、 Ru(tpy)(Cl)₃ 、 4'-甲基-2,2'-联吡啶-4-甲酸 在 HCl 作用下， 以 甲醇 、 水 为溶剂， 生成 trans-[Ru(2,2':6',2''-terpyridine)(4-carboxy-4'-methyl-2,2'-bipyridine)Cl][PF6] 、 cis-[Ru(2,2':6',2''-terpyridine)(4-carboxy-4'-methyl-2,2'-bipyridine)Cl][PF6]*CH3CN
  参考文献：
  名称：

  Separation of Positional Isomers of Oxidation Catalyst Precursors

  摘要：

  A series of polypyridyl ruthenium complexes of the general formula [Ru(tpy)(bpy')Cl](+) where tpy is 2,2':6',2 " -terpyridine and bpy' is 4-carboxy-4'-methyl-2,2'-bipyridine (4-CO2H-4'-Mebpy), a proline derivative (4-CO-Pra-(Boc)(OMe)-4'-Mebpy), or 4-((diethoxyphosphinyl)methyl)-4'-methyl (4-CH2PO3Et2-4'-Mebpy) are prepared. Fog each complex, two isomers exist, and these are separated chromatographically. The structure of the hexafluorophosphate salt of cis-[Ru(tpy)(4-CO2H-4'-Mebpy)Cl](+), cis-1, is determined by X-ray crystallography. The salt crystallizes in the monoclinic space group Cc with a = 12.4778(6) Angstrom, b = 12.6086(6) Angstrom, c = 20.1215(9) Angstrom, beta 107.08200(1)degrees, Z = 4, R = 0.058, and R-w = 0.072. The structures of the remaining complexes are assigned by H-1 NMR comparisons with cis-1. The complexes are potentially important precursors for the incorporation of Ru-IV=O2+ oxidants into polymers or peptides or for their adsorption onto oxide surfaces. Preliminary electrochemical results for the isomers of [Ru(tpy)(4-CH2PO3H2-4'-Mebpy)(H2O)](2+), 4, adsorbed on ITO (In2O3:Sn) surfaces add support to a recently proposed electron-transfer mechanism involving cross-surface proton-coupled electron transfer.

  DOI：

  10.1021/ic9911724