Na[Ru(2,6-bis(1-methylbenzimidazol-2-yl)pyridine)(2,2'-bipyridine-4,4'-dicarboxylate)I] | 178555-70-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: Na[Ru(2,6-bis(1-methylbenzimidazol-2-yl)pyridine)(2,2'-bipyridine-4,4'-dicarboxylate)I]
• 英文别名: Na[Ru(2,6-bis(1-methylbenzimidazol-2-yl)pyridine)(4,4'-dicarboxylato-2,2'-bipyridine)I]；sodium;2-(4-carboxylatopyridin-2-yl)pyridine-4-carboxylate;iodoruthenium(1+);1-methyl-2-[6-(1-methylbenzimidazol-2-yl)pyridin-2-yl]benzimidazole
• CAS: 178555-70-9
• 化学式: C₃₃H₂₃IN₇O₄Ru*Na
• 分子量: 832.554
• InChiKey: WOJHABHOSVRIAR-UHFFFAOYSA-K

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：

  thallium phenylcyanamidate 、 Na[Ru(2,6-bis(1-methylbenzimidazol-2-yl)pyridine)(2,2'-bipyridine-4,4'-dicarboxylate)I] 以 甲醇 为溶剂， 以73%的产率得到Na[Ru(2,6-bis(1-methylbenzimidazol-2-yl)pyridine)(2,2'-bipyridine-4,4'-dicarboxylate)(phenylcyanoamidate)]
  参考文献：
  名称：

  用于光伏电池的新型敏化剂。含2,6-双（1-甲基苯并咪唑-2-基）吡啶的Ru（II）配合物的结构变异

  摘要：

  合成了一系列新的钌（II）配合物，用于基于染料敏化的纳米二氧化钛的光电化学太阳能电池。通过原型配合物K [Ru（II）（bmipy）（4,4'-dcbpy）（NCS）]（7）的结构变化测试了开发新染料的设计策略，其中bmipy = 2,6-bis（ 1-甲基-苯并咪唑-2-基）吡啶，和4,4'-dcbpy = 2,2'-联吡啶-4,4'-二羧酸酯。通过用低π *水平配体dcbiq（2,2'-biquinoline-4,4'-dicarboxylate）和5,5'-dcbpy替代4,4'-dcbpy来进行π *水平调节。所得的配合物显示出降低的光-电能转换效率。K [Ru（II）（bmipy）（4-PO 3 bpy）（NCS）]（4-PO 3 H 2bpy = 2,2'-联吡啶-4-膦酸）对TiO 2的增感也比模型化合物差。对于含有4-PO 3 bpy的配合物，观察到两种异构体的出现。的Na的[Ru（II）（bmipy）（4

  DOI：

  10.1016/s0020-1693(97)05457-1
• 作为产物：
  描述：

  Ru(2,6-bis(1-methylbenzimidazol-2-yl)pyridine)(4-carboxy-4'-carboxylato-2,2'-bipyridine)Cl * 3 H2O 、 sodium iodide 在 三乙胺 作用下， 以 甲醇 为溶剂， 生成 Na[Ru(2,6-bis(1-methylbenzimidazol-2-yl)pyridine)(2,2'-bipyridine-4,4'-dicarboxylate)I]
  参考文献：
  名称：

  Ruthenium(II) Charge-Transfer Sensitizers Containing 4,4‘-Dicarboxy-2,2‘-bipyridine. Synthesis, Properties, and Bonding Mode of Coordinated Thio- and Selenocyanates

  摘要：

  The synthesis and properties of several complexes of Ru(II) containing 4,4'-dicarboxy-2,2'-bipyridine (dcbpyH(2)), 2,6-bis(1-methylbenzimidazol-2-yl)pyridine (bmipy), or 2,6-bis(1-methylbenzimidazol-2-yl)-4-phenylpyridine (ph-bmipy), and monodentate ligands (X(-) = Cl-, I-, NCS-, NCSe-, CN-) are reported. The introduction of the ambident ligands X(-) = NCS-, NCSe-, and CN- into the coordination sphere of [Ru(bmipy)(dcbpy)I](-) and cis-Ru(dcbpyH(2))(2)Cl-2 has been studied in situ via H-1 and C-13 NMR spectroscopy using C-13-enriched ligands X(-). Introduction of thiocyanate and selenocyanate initially yields the two possible linkage isomers in comparable amounts; prolonged reaction time converts the S-bound isomer and the Se-bound isomer to the N-bound isomers. The isoselenocyanate complex decomposes rapidly, yielding the cyano complex under loss of Se. The N-bound isothiocyanato complex K[Ru(bmipy)(dcbpy)(NCS)] was found to be an efficient sensitizer for nanocrystalline TiO2; the incident monochromatic photon-to-current efficiency (IPCE) is nearly quantitative at 520 nm. Introduction of a phenyl group in the 4-position of the 2,6-bis(1-methylbenzimidazol-2-yl)pyridine ligand gives a red-shifted absorption maximum for the corresponding phenylated K[Ru(ph-bmipy)(dcbpy)(NCS)] complex with an increased molar absorption coefficient for the MLCT maximum at 508 nm. At longer wavelengths above 620 nm, phenyl substitution does not enhance the absorption coefficients of the complex. Compared to that of K[Ru(bmipy)(dcbpy)(NCS)], the performance of the phenylated complex is reduced in a solar cell due to lower IPCE values. The visible spectra of the halide complexes K[Ru(bmipy)(dcbpy)X] (X(-) = Cl-, I-) show enhanced red response, but the complexes exhibit strongly reduced overall IPCE values. A comparison of the complexes to cis-Ru(dcbpyH(2))(2)(NCS)(2) is presented. Possible strategies for the design of more efficient sensitizers are discussed.

  DOI：

  10.1021/ic9515665