(acetylacetonate)2Ru(III)(μ-OC2H5)Ru(III)(acetylacetonate)2 | 749861-52-7

• 英文名称: (acetylacetonate)2Ru(III)(μ-OC2H5)Ru(III)(acetylacetonate)2
• 英文别名: (acac)2Ru(μ-OC2H5)Ru(acac)2
• CAS: 749861-52-7
• 化学式: C₂₄H₃₈O₁₀Ru₂
• 分子量: 688.7
• InChiKey: IUQPEXYBUXNKEB-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：

  cis-bis(acetonitrile)bis(acetylacetonato)ruthenium(II) 、 乙醇 在 KOH 作用下， 以 乙醇 为溶剂， 以0%的产率得到(acetylacetonate)2Ru(III)(μ-OC2H5)Ru(III)(acetylacetonate)2
  参考文献：
  名称：

  Diruthenium Complexes [{(acac)₂Ru^III}₂(μ-OC₂H₅)₂], [{(acac)₂Ru^III}₂(μ-L)](ClO₄)₂, and [{(bpy)₂Ru^II}₂(μ-L)](ClO₄)₄ [L = (NC₅H₄)₂−N−C₆H₄−N−(NC₅H₄)₂, acac = Acetylacetonate, and bpy = 2,2‘-Bipyridine]. Synthesis, Structure, Magnetic, Spectral, and Photophysical Aspects

  摘要：

  Paramagnetic diruthenium(III) complexes (acac)(2)Ru-III(mu-OC2H5)(2)Ru-III(acac)(2) (6) and [(acac)(2)Ru-III(mu-L)Ru-III(acac)(2)]-(ClO4)(2), [7](ClO4)(2), were obtained via the reaction of binucleating bridging ligand, N,N,N',N'-tetra(2-pyridyl)-1,4-phenylenediamine [(NC5H4)(2)-N-C6H4-N-(NC5H4)(2), L] with the monomeric metal precursor unit (acac)(2)Ru-II(CH3CN)(2) in ethanol under aerobic conditions. However, the reaction of L with the metal fragment Ru-II(bpy)(2)(EtOH)(2)(2+) resulted in the corresponding [(bpy)(2)Ru-II (mu-L) Ru-II(bpy)(2)](ClO4)(4), [8](ClO4)(4), Crystal structures of L and 6 show that, in each case, the asymmetric unit consists of two independent half-molecules. The Ru-Ru distances in the two crystallographically independent molecules (F and G) of 6 are found to be 2.6448(8) and 2.6515(8) Angstrom, respectively. Variable-temperature magnetic studies suggest that the ruthenium(III) centers in 6 and [7](ClO4)(2) are very weakly antiferromagnetically coupled, having J = -0.45 and -0.63 cm(-1), respectively. The g value calculated for 6 by using the van Vleck equation turned out to be only 1.11, whereas for [7](ClO4)(2), the g value is 2.4, as expected for paramagnetic Ru(III) complexes. The paramagnetic complexes 6 and [7](2+) exhibit rhombic EPR spectra at 77 K in CHCl3 (g(1) = 2.420, g(2) = 2.192, g(3) = 1.710 for 6 and g(1) = 2.385, g(2) = 2.177, g(3) = 1.753 for [7](2+)). This indicates that 6 must have an intermolecular magnetic interaction, in fact, an antiferromagnetic interaction, along at least one of the crystal axes. This conclusion was supported by ZINDO/1-level calculations. The complexes 6, [7](2+), and [8](4+) display closely spaced Ru(III)/Ru(II) couples with 70, 110, and 80 mV separations in potentials between the successive couples, respectively, implying weak intermetallic electrochemical coupling in their mixed-valent states. The electrochemical stability of the Ru(II) state follows the order: [7](2+) < 6 < [8](4+). The bipyridine derivative [8](4+) exhibits a strong luminescence [quantum yield (phi) = 0.18] at 600 nm in EtOH/MeOH (4:1) glass (at 77 K), with an estimated excited-state lifetime of approximately 10 mus.

  DOI：

  10.1021/ic0498900