| 526195-00-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• CAS: 526195-00-6
• 化学式: C₁₀H₁₂N₂O₈*H₂O*K*Ru
• 分子量: 446.397
• InChiKey: ANMBGEHUWUACFC-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  -11.23
• 重原子数：
  23.0
• 可旋转键数：
  11.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  198.5
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  、 以 水 为溶剂， 生成
  参考文献：
  名称：

  Tuning of the reorganization energies by ‘innocent’ co-ligands in novel mixed-valent dinuclear ruthenium complexes

  摘要：

  Two novel mixed-valent ruthenium complexes, of formulae [(tpy)(bpy)Ru-II(pz)Ru-III(edta)](+) and [(CN)(4)Ru-II(bpz)Ru-III(edta)](3-) (where tpy = 2,2':6',2"-terpyridine, bpy = 2,2'-bipyridine, pz = pyrazine, bpz = 2,2'-bipyrazine, edta = ethylenediaminetetraacetate), were prepared and spectroscopically characterized in aqueous solutions and as solid salts with suitable counterions. For comparison purposes, two new ruthenium complexes: a dinuclear species, of formula [(CN)(4)Ru-II(bpz)Ru-II(NH3)(5)], and a trinuclear species, of formula {(CN)(4)Ru-II(bpz)[Ru-II(NH3)(5)](2)}(2+), were also prepared and characterized in aqueous solutions. From spectral data of metal-to-metal charge transfer (MMCT) absorption bands, a Hush analysis was made, and the reorganization energies for the intramolecular electron transfers were calculated. A dramatic change in these values was disclosed when comparing both mixed-valent species, which can be explained on the basis of the influence exerted by the 'innocent' co-ligands (polypyridines or cyanides) bonded to the ruthenium centers. This tuning is an important factor in devising molecular devices for energy conversion. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(02)01368-2