4,4'-bis(1-(4-hexylphenyl)-1H-1,2,3-triazol-4-yl)-2,2'-bipyridine | 1222368-87-7

• 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: 4,4'-bis(1-(4-hexylphenyl)-1H-1,2,3-triazol-4-yl)-2,2'-bipyridine
• 英文别名: 4-[1-(4-Hexylphenyl)triazol-4-yl]-2-[4-[1-(4-hexylphenyl)triazol-4-yl]pyridin-2-yl]pyridine；4-[1-(4-hexylphenyl)triazol-4-yl]-2-[4-[1-(4-hexylphenyl)triazol-4-yl]pyridin-2-yl]pyridine
• CAS: 1222368-87-7
• 化学式: C₃₈H₄₂N₈
• 分子量: 610.805
• InChiKey: OTGFWBQEVCNVRJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.6
• 重原子数：
  46
• 可旋转键数：
  15
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  87.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  硫氰酸铵 、 [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 、 4,4'-bis(1-(4-hexylphenyl)-1H-1,2,3-triazol-4-yl)-2,2'-bipyridine 、 2,2'-联吡啶-4,4'-二甲酸 以 N,N-二甲基甲酰胺 为溶剂， 生成 cis-[Ru(C38H42N6)(H2dcbpy)(NCS)2]
  参考文献：
  名称：

  New type of ruthenium sensitizers with a triazole moiety as a bridging group

  摘要：

  A new type of ruthenium sensitizers JK-91 and JK-92 with a triazole moiety as a bridging group were designed and synthesized in an attempt to increase the pi-conjugated system. Two compounds work as highly efficient sensitizers for the dye-sensitized nanocrystalline TiO2 solar cell. Under standard AM 1.5 sunlight, the sensitizer JK-91 yielded a short-circuit photocurrent density of 12.55 mA/cm(2), an open-circuit voltage of 0.73 V, and a fill factor of 0.73, corresponding to an overall conversion efficiency of 6.75%. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.12.021
• 作为产物：
  描述：

  1-azido-4-hexylbenzene 、 4,4'-双乙炔基-2,2'-联吡啶 在 copper(II) sulfate 、 sodium ascorbate 、 sodium hydroxide 作用下， 以 二氯甲烷 、 水 、 叔丁醇 为溶剂， 反应 72.0h， 生成 4,4'-bis(1-(4-hexylphenyl)-1H-1,2,3-triazol-4-yl)-2,2'-bipyridine
  参考文献：
  名称：

  New type of ruthenium sensitizers with a triazole moiety as a bridging group

  摘要：

  A new type of ruthenium sensitizers JK-91 and JK-92 with a triazole moiety as a bridging group were designed and synthesized in an attempt to increase the pi-conjugated system. Two compounds work as highly efficient sensitizers for the dye-sensitized nanocrystalline TiO2 solar cell. Under standard AM 1.5 sunlight, the sensitizer JK-91 yielded a short-circuit photocurrent density of 12.55 mA/cm(2), an open-circuit voltage of 0.73 V, and a fill factor of 0.73, corresponding to an overall conversion efficiency of 6.75%. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2009.12.021

文献信息

• New type of ruthenium sensitizers with a triazole moiety as a bridging group
  作者：Sanghyun Paek、Chul Baik、Moon-sung Kang、Hongsuk Kang、Jaejung Ko

  DOI：10.1016/j.jorganchem.2009.12.021

  日期：2010.3

  A new type of ruthenium sensitizers JK-91 and JK-92 with a triazole moiety as a bridging group were designed and synthesized in an attempt to increase the pi-conjugated system. Two compounds work as highly efficient sensitizers for the dye-sensitized nanocrystalline TiO2 solar cell. Under standard AM 1.5 sunlight, the sensitizer JK-91 yielded a short-circuit photocurrent density of 12.55 mA/cm(2), an open-circuit voltage of 0.73 V, and a fill factor of 0.73, corresponding to an overall conversion efficiency of 6.75%. (C) 2010 Elsevier B.V. All rights reserved.