[fac-(rhenium(I))Cl(CO)3(bathocuproinedisulfonate)](2-) | 953507-12-5

• 英文名称: [fac-(rhenium(I))Cl(CO)3(bathocuproinedisulfonate)](2-)
• 英文别名: fac-[ClRe(CO)3(bathocuproinedisulfonate)](2-)；fac-[ClRe(CO)3(bcds)](2-)
• CAS: 953507-12-5
• 化学式: C₂₉H₁₈ClN₂O₉ReS₂
• 分子量: 824.262
• InChiKey: GTEBJSDELLYLRR-UHFFFAOYSA-K

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：

  三-(1,10-菲咯啉)钌 、 fac-[ClRe(CO)3(bathocuproinedisulfonate)](1-) 以 水 、 乙腈 为溶剂， 生成 tris(1,10-phenanthroline)ruthenium(III)(3+) 、 [fac-(rhenium(I))Cl(CO)3(bathocuproinedisulfonate)](2-)
  参考文献：
  名称：

  Kinetic and spectroscopic observations on the azidyl, , radical oxidation of fac-(Lspectator)ReI(CO)3(Lacceptor) to fac-(Lspectator)ReII(CO)3(Lacceptor), Lspectator=4,4′-bpy; Lacceptor=dipyridyl[3,2-a:2′3′-c]phenazine or Lspectator=Cl−; Lacceptor=bathocuproindisulfonate: A revisitation to the self-exchange rate constants of the and Re(II)/Re(I) couples and to the redox potential of the radical

  摘要：

  The oxidation of two triscarbonyl fac-(L-spectator)Re-I(CO)(3)(L-acceptor)(z) complexes (L-spectator = 4,4'-bpy; L-acceptor = dipyridyl[3,2-a:2'3'-c] phenazine (dppz) and z = + or L-spectator = Cl-; L-acceptor = bathocuproinedisulfonate (bcds(2-)) and z = 2-) by azidyl radicals, N-3(.), was investigated by pulse radiolysis. Reaction rate constants were determined for the electron transfer reactions between the Re(II) products and reductants, Ru(bipy)(3)(3+) and Ni(Me-6-[14]dieneN(4))(2+), and used for the calculation of the self-exchange rate constant of the Re(II)/Re(I) couples. The self-exchange rate constants, k similar to 10(7) M-1 s(-1), were one order of magnitude larger than the constant, k similar to 10(6) M-1 s(-1), communicated in the literature for the [Re(DMPE)(3)](+/2+) (DMPE = 1,2-bis(dimethylphosphine)ethane). The larger rate constants of the triscarbonyl complexes are in agreement with the smaller inner sphere reorganization energy of the complexes relative to [Re(DMPE)(3)](+/2+). Moreover, the study demonstrated that the redox potential of the azidyl radicals is E-N3(/N3).(-0) = 1.70 V versus NHE, a value larger than one communicated earlier, and that the self-exchange rate constant of the N-3(.)/N-3(-) couple is k(N3)(/N3)(.)(-) = 2.7 x 10(6) M-1 s(-1). The small value of the N-3(.)/N-3(-) self-exchange rate constant has been related to the large solvent reorganization energy of the reaction. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.02.049