2,6-bis(3,5-dimethyl-N-pyrazolyl)pyridine (2,2'-bipyridine-4,4'-dicarboxylate)chloro ruthenium(II) hexafluorophosphate | 436140-85-1

• 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: 2,6-bis(3,5-dimethyl-N-pyrazolyl)pyridine (2,2'-bipyridine-4,4'-dicarboxylate)chloro ruthenium(II) hexafluorophosphate
• 英文别名: [RuCl(2,6-bis(3,5-dimethyl-N-pyrazoyl)pyridine)(2,2'-bipyridine-4,4'-dicarboxylic acid)]PF6；2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine;2-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid;chlororuthenium(1+);hexafluorophosphate
• CAS: 436140-85-1
• 化学式: C₂₇H₂₅ClN₇O₄Ru*F₆P
• 分子量: 793.027
• InChiKey: KWCDVBGILMTFGS-UHFFFAOYSA-M

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：

  ammonium hexafluorophosphate 、 2,6-bis(3,5-dimethyl-N-pyrazolyl)pyridine (2,2'-bipyridine-4,4'-dicarboxylate)chloro ruthenium(II) hexafluorophosphate 、 sodium thiocyanide 以 乙醇 、 水 为溶剂， 以95%的产率得到2,6-bis(3,5-dimethyl-N-pyrazolyl)pyridine (2,2'-bipyridine-4,4'-dicarboxylate)thiocyanato ruthenium(II) hexafluorophosphate
  参考文献：
  名称：

  Synthesis and spectroscopic properties of a new bipyridine-bipyrazoyl(pyridine)-thiocyanato-ruthenium(II) complex

  摘要：

  The complex [Ru(II)(dcbpyH(2))(bdmpp)NCS](PF6) (1) where dcbpyH(2) is 2,2'-bipyridine-4,4'-dicarboxylic acid, bdmpp is 2,6-bis(3,5-dimethyl-N-pyrazoyl)pyridine,) is synthesized and. characterized extensively by H-1 NMR and C-13 NMR 1D and 2D, mass spectroscopy, cyclic voltammetry, electronic absorption spectroscopy and IR. The half-wave potential of the Ru(II)/Ru(III) redox couple was measured at E-1/2 = +0.795 V versus Ag/AgCl in CH3CN. The complex presents three intense metal-to-ligand charge transfer (MLCT) (d(M) --> pi*(L) absorption bands centered at 383 (epsilon = 21300 M-1 cm(-1)), 432 (epsilon = 22 400 M-1 cm(-1)) and 475 nm (epsilon = 23 400 M-1 cm(-1)), respectively. The absorbance is extremely strong between 400 and 500 nm and even at 620 nm, the extinction coefficient is still high (epsilon = 3768 M-1 cm(-1)). The strong pi-acceptor property of the trans-isothiocyanate ligand compared with the Cl- ligand is probably the cause of the blue-shift observed in complex 1. These properties make the complex potentially promising for the photosensitization process. The incorporation of TiO2 photoelectrodes derivatized with this complex into a solar cell using a composite polymer/inorganic oxide solid-state electrolyte confirmed its sensitizing ability. Incident monochromatic photon-to-current conversion efficiency (IPCE) values of about 30% and overall energy conversion efficiency (eta) of 1.7% were obtained. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(02)01282-2
• 作为产物：
  描述：

  ammonium hexafluorophosphate 、 2,6-bis(3,5-dimethyl-N-pyrazolyl)pyridine ruthenium(III) trichloride 、 2,2'-联吡啶-4,4'-二甲酸 在 三乙胺 、 lithium chloride 作用下， 以 甲醇 、 乙醇 、 水 为溶剂， 以24%的产率得到2,6-bis(3,5-dimethyl-N-pyrazolyl)pyridine (2,2'-bipyridine-4,4'-dicarboxylate)chloro ruthenium(II) hexafluorophosphate
  参考文献：
  名称：

  Synthesis and spectroscopic properties of a new bipyridine-bipyrazoyl(pyridine)-thiocyanato-ruthenium(II) complex

  摘要：

  The complex [Ru(II)(dcbpyH(2))(bdmpp)NCS](PF6) (1) where dcbpyH(2) is 2,2'-bipyridine-4,4'-dicarboxylic acid, bdmpp is 2,6-bis(3,5-dimethyl-N-pyrazoyl)pyridine,) is synthesized and. characterized extensively by H-1 NMR and C-13 NMR 1D and 2D, mass spectroscopy, cyclic voltammetry, electronic absorption spectroscopy and IR. The half-wave potential of the Ru(II)/Ru(III) redox couple was measured at E-1/2 = +0.795 V versus Ag/AgCl in CH3CN. The complex presents three intense metal-to-ligand charge transfer (MLCT) (d(M) --> pi*(L) absorption bands centered at 383 (epsilon = 21300 M-1 cm(-1)), 432 (epsilon = 22 400 M-1 cm(-1)) and 475 nm (epsilon = 23 400 M-1 cm(-1)), respectively. The absorbance is extremely strong between 400 and 500 nm and even at 620 nm, the extinction coefficient is still high (epsilon = 3768 M-1 cm(-1)). The strong pi-acceptor property of the trans-isothiocyanate ligand compared with the Cl- ligand is probably the cause of the blue-shift observed in complex 1. These properties make the complex potentially promising for the photosensitization process. The incorporation of TiO2 photoelectrodes derivatized with this complex into a solar cell using a composite polymer/inorganic oxide solid-state electrolyte confirmed its sensitizing ability. Incident monochromatic photon-to-current conversion efficiency (IPCE) values of about 30% and overall energy conversion efficiency (eta) of 1.7% were obtained. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(02)01282-2

文献信息

• Synthesis and characterization of bdmpp-dcbpy-Ru (II) complex for dye-sensitized solar cells [where bdmpp is 2,6-bis(3,5-dimethyl-N-pyrazoyl)pyridine and dcbpy is 2,2′-bipyridine-4,4′-dicarboxylic acid]
  作者：K Chryssou、V.J Catalano、R Kurtaran、P Falaras

  DOI：10.1016/s0020-1693(01)00735-6

  日期：2002.1

  A new complex, [Ru(II)(dcbpyH(2))(bdmpp)Cl](PF6) (where bdmpp is 2,6-bis(3,5-dimethyl-N-pyrazoyl)pyridine, dcbpyH(2) is 2,2'-bipyridine-4,4'-dicarboxylic acid) is synthesized and characterized by mass spectroscopy, by IR, ES-MS and H-1 NMR (1D and 2D) spectroscopies. The broad and very high intensity MLCT absorption band in the visible makes this dye potentially beneficial for the photosensitization process. Cyclic voltammetry analysis displays a well reversible oxidation-reduction wave with E-1/2 = +0.81 vs. Ag-AgCl. Transparent TiO2 thin film electrodes can easily be chemically modified by the complex and the incorporation of the resulting photoelectrodes in wet regenerative solar cells produced a stable photovoltage of 550 mV and gave a continuous photocurrent of 140 muA cm(-2). (C) 2002 Elsevier Science B.V. All rights reserved.