[Ru(4,4'-dimethyl-2,2'-bipyridine)Cl2(dmso)2] | 122898-72-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Ru(4,4'-dimethyl-2,2'-bipyridine)Cl2(dmso)2]
• 英文别名: {Ru(DMSO)2(4,4`-dimethyl-2,2`-bipyridine)Cl2}
• CAS: 122898-72-0
• 化学式: 2C₂H₆OS*C₁₂H₁₂N₂*2Cl*Ru
• 分子量: 512.487
• InChiKey: MAFPYSPQTSXDKB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.24
• 重原子数：
  20.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  42.85
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  [Ru(4,4'-dimethyl-2,2'-bipyridine)Cl2(dmso)2] 、 2,2'-联吡啶-4,4'-二甲酸 以 N,N-二甲基甲酰胺 为溶剂， 以75%的产率得到[Ru(4,4'-dimethyl-2,2'-bipyridine)(4,4'-dicarboxy-2,2'-bipyridine)Cl2]
  参考文献：
  名称：

  Stepwise Assembly of Tris-Heteroleptic Polypyridyl Complexes of Ruthenium(II)

  摘要：

  A general method for the synthesis of tris-heteroleptic ruthenium(II) complexes of the type [Ru(dcbpy)(dmbpy)-(ddtc)] (3) and [Ru(dcbpy)(dmbpy) (NCS)(2)] (4) is reported, where the ligands (dcbpy = 4,4'-dicarboxy-2,2'-bipyridine, dmbpy = 4,4'-dimethyl-2,2'-bipyridine, and ddtc = diethyldithiocarbamate) are introduced sequentially. The complexes have been characterized by UV/visible, emission, IR, Raman and NMR spectroscopies and cyclic voltammetry. The effect of pH on the absorption spectra and luminescence behavior of these complexes consisting of protonatable ligands has been investigated in a water/ethanol solvent mixture by pH titration. The dissociation of protons is in sequential steps (pK(a) = 3.5 and 1.8). The excited-state pK(a) values are more basic than the ground-state pK(a) values. Resonance Raman spectra of these complexes strongly suggest that the lowest-energy metal-to-ligand charge-transfer transition bands are localized on the dcbpy ligand. The molecular crystal structure of 3 and the performance of these complexes as charge-transfer photosensitizers in a nanocrystalline TiO2-based solar cell is discussed.

  DOI：

  10.1021/ic980357s
• 作为产物：
  描述：

  4,4'-二甲基-2,2'-联吡啶 、 dichlorotetrakis(dimethylsulfoxide)ruthenium(II) 以 氯仿 为溶剂， 以81%的产率得到[Ru(4,4'-dimethyl-2,2'-bipyridine)Cl2(dmso)2]
  参考文献：
  名称：

  Synthesis and properties of bipyridyl-based dye-sensitizers

  摘要：

  根据4-甲基吡啶的原料，合成了一系列双吡啶衍生物。以双吡啶衍生物作为配体，制备了染料敏化剂Ru(4, 4′-二羧基-2, 2′-双吡啶)2(NCS)2、Ru(2, 2′-双吡啶)(4, 4′-二羧基-2, 2′-双吡啶)(NCS)2和Ru(4, 4′-二甲基-2, 2′-双吡啶)(4, 4′-二羧基-2, 2′-双吡啶)(NCS)2。这些化合物的结构通过红外光谱、元素分析和1H NMR进行了表征，证明它们为目标产物。染料敏化剂的XPS结果显示，双吡啶和–NCS与中心金属钌的配位效果良好。通过TG、UV-Vis和循环伏安法测定染料敏化剂的性能，发现这些染料敏化剂具有优异的热稳定性、宽广的可见光吸收范围，并且与染料敏化太阳能电池的要求匹配良好，能够保证太阳能电池的长期使用。Ru(4, 4′-二羧基-2, 2′-双吡啶)2(NCS)2具有更好的热稳定性和较大的摩尔吸收率，相较于其他两种染料敏化剂，表现出更优秀的吸收效果。

  DOI：

  10.1007/s11164-012-0941-y

文献信息

• Solvent and temperature dependence of intramolecular energy transfer in the complex [(dmb)2Ru(b-b)Ru(dmb)(CN)2]2+
  作者：Chong Kul Ryu、Russell H. Schmehl

  DOI：10.1021/j100360a043

  日期：1989.11