2,6-bis(3,5-dimethyl-N-pyrazolyl)pyridine (2,2'-bipyridine-4,4'-dicarboxylate)thiocyanato ruthenium(II) hexafluorophosphate | 505030-14-8

• 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)thiocyanato ruthenium(II) hexafluorophosphate
• 英文别名: [Ru(bdmpp)(dc-bpy)(NCS)](PF6)；2,6-bis(3,5-dimethylpyrazol-1-yl)pyridine;2-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid;ruthenium(2+);hexafluorophosphate;isothiocyanate
• CAS: 505030-14-8
• 化学式: C₂₈H₂₅N₈O₄RuS*F₆P
• 分子量: 815.658
• InChiKey: UDMVUYZHOGHCRG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  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