Ru(4,4'-dimethyl-2,2'-bipyridyl)(4,4'-dicarboxylic-2,2'-bipyridyl)(NCS)₂ | 213988-42-2

• 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'-bipyridyl)(4,4'-dicarboxylic-2,2'-bipyridyl)(NCS)₂
• 英文别名: Ru(4,4'-dimethyl-2,2'-bipyridine)(4,4'-dicarboxy-2,2'-bipyridine)(NCS)₂；Ru(dmbpy)(dcbpy)(NCS)₂；[Ru(2,2'-bipyridyl-4,4'-dicarboxylic acid)(4,4'-dimethyl-2,2'-bipyridine)(isothiocyanato)2]；[Ru(4,4'-dimethyl-2,2'-bipyridine)(2,2'-bipyridine-4,4'-dicarboxylic acid)(thiocyanate)2]；Ru(4,4'-dicarboxy-2,2'-bipyridyl)(4,4'-dimethyl-2,2'-bipyridine)(NCS)2；Ru-bpy-NCS
• CAS: 213988-42-2
• 化学式: C₂₆H₂₀N₆O₄RuS₂
• 分子量: 645.685
• InChiKey: GUZCROBEVHJSFB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.62
• 重原子数：
  39
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  192
• 氢给体数：
  2
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  、 potassium thioacyanate 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 Ru(4,4'-dimethyl-2,2'-bipyridyl)(4,4'-dicarboxylic-2,2'-bipyridyl)(NCS)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

• Varying numbers and positions of carboxylate groups on Ru dyes for dye-sensitized solar cells: uptake on TiO₂, cell performance and cell stability
  作者：Tracy Hewat、Shane McDonald、Jonathan Lee、Mahfujur Rahman、Petra Cameron、Fa-Chun Hu、Yun Chi、Lesley J. Yellowlees、Neil Robertson

  DOI：10.1039/c3ra47795a

  日期：——

  Varying the number and position of carboxylate groups on Ru(ii) dyes affects the efficiency, dye uptake, dye binding and stability of dye-sensitised solar cells.

  改变Ru（II）染料上羧基团的数量和位置会影响染料敏化太阳能电池的效率、染料吸收、染料结合和稳定性。
• Synthesis and properties of bipyridyl-based dye-sensitizers
  作者：Jintang Guo、Junfang Nie、Zhenhui Lv

  DOI：10.1007/s11164-012-0941-y

  日期：2013.11

  Based on the raw material of 4-methylpyridine, a series of bipyridyl derivatives were synthesized. Using bipyridyl derivatives as ligands, dye-sensitizers of Ru (4, 4′-dicarboxylic-2, 2′-bipyridyl)2(NCS)2, Ru (2, 2′-bipyridyl)(4, 4′-dicarboxylic-2, 2′-bipyridyl)(NCS)2, and Ru (4, 4′-dimethyl-2, 2′-bipyridyl)(4, 4′-dicarboxylic-2, 2′-bipyridyl)(NCS)2 were prepared. The structures of these compounds were characterized by IR, element analysis, and 1H NMR, and proved to be the target products. The dye sensitizers’ XPS showed that bipyridyl and –NCS coordinate with central metal ruthenium very well. The dye sensitizers’ properties were measured by TG, UV–Vis, and Cyclic voltammetry, and it was found that these dye sensitizers have excellent themostability, wide absorption range in the visible region, and match well with the requirements of the dye-sensitized solar cells, which can guarantee the solar cells long-term use. Ru (4, 4′-dicarboxylic-2, 2′-bipyridyl)2(NCS)2 was found to have better thermal stability and larger molar absorption, resulting in better absorption than the other two dye sensitizers.

  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。