| 147530-63-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• CAS: 147530-63-0
• 化学式: C₂₀H₁₆Cl₂N₄Os
• 分子量: 589.353
• InChiKey: SYYZASDJJIWDME-YJWUQCPJSA-L

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：

  在 2,2-bypyridine-d8 作用下， 以 甲醇 、 乙醇 为溶剂， 生成 {tris(2,2'-bipyridine-d8)osmium}Cl2
  参考文献：
  名称：

  Site‐selective and Stark spectroscopy of the series [Os(2,2’‐bipyridine)_3−x(2,2’‐bipyridine‐d₈)_x]²⁺ (x=0–3) in single‐crystal [Ru(2,2’‐bipyridine)₃](PF₆)₂. Localization of an intramolecular triplet metal‐to‐ligand charge transfer exciton by partial deuteration

  摘要：

  Selective luminescence and excitation spectroscopy and Stark experiments of the title systems are reported. Dramatic differences of the x=1 and x=2 spectra, in comparison with the x=0 and x=3 spectra are observed. The lowest-excited state in the x=1 and x=2 spectra is a charge-transfer excitation localized on the protonated ligand(s). A superposition of ‘‘deuterated’’ and ‘‘protonated’’ transitions is observed for the x=1 and x=2 systems in the excitation spectra. The deuteration shift (≊32 cm−1) is much larger than the excitation exchange interaction β between the metal–ligand subunits. ‖β‖ is ≊2 cm−1, as directly determined from the observed splittings (5–7 cm−1) of I, the lowest-energy electronic origin. Stark shifts confirm the charge transfer character of the lowest-excited states. The splittings and relative intensities of the origins and their Stark effect can be quantitatively described by an exciton formalism.

  DOI：

  10.1063/1.469530

文献信息

• Redox and Spectroscopic Orbitals in Ru(II) and Os(II) Phenolate Complexes
  作者：Tia E. Keyes、Deirdre Leane、Robert J. Forster、Colin G. Coates、John J. McGarvey、Mark N. Nieuwenhuyzen、Egbert Figgemeier、Johannes G. Vos

  DOI：10.1021/ic0202561

  日期：2002.11.1

  electrochemical study of a series of novel phenolate bound complexes, of general formulas [M(L-L)(2)(box)](PF(6)), where M is Os and Ru, L-L is 2,2-bipyridine or 2,2-biquinoline, and box is 2-(2-hydroxyphenyl)benzoxazole, is presented. The objectives of this study were to probe the origin of the LUMOs and HOMOs in these complexes, to elucidate the impact of metal and counter ligand on the electronic

  详细的光谱和电化学研究一系列通式[M（LL）（2）（box）]（PF（6））的新型酚盐结合配合物，其中M为Os和Ru，LL为2,2-提出了联吡啶或2，2-联喹啉，方框是2-（2-羟苯基）苯并恶唑。这项研究的目的是探查这些复合物中LUMO和HOMO的起源，阐明金属和配体对复合物电子性能的影响，并确定轨道混合的程度。研究了醌类络合物。[M（LL）（2）（box）]（PF（6））配合物具有很强的电子光谱学，可延伸到近红外区域，并具有良好的光稳定性，使其有可能用作太阳能增敏剂。电化学和光谱学表明，第一次氧化是基于金属的，并且与M（II）/（III）氧化还原态有关。在缓慢的扫描速率下不可逆的第二氧化波与酚盐配体有关。氧化配合物的稳定性使用动态电化学方法进行评估，并从金属和配位体（LL）的同一性角度进行了讨论，并遵循稳定性增加的顺序[Ru（biq）（2）（box）]（+）<[Ru （bpy）（2）（b
• Highly resolved emission of osmium-deuterated bipyridine compound [Os(bpy-h8)n(bpy-d8)3-n]2+ (n = 0-3): evidence for electronic delocalization
  作者：Peter Huber、Hartmut Yersin

  DOI：10.1021/j100151a013

  日期：1993.12

  Highly resolved emission spectra of the title compounds doped into single-crystal [Zn(bpy-h8)3](ClO4)2 have been recorded at 1.3 K. The partially deuterated dopants (n = 1, 2) occupy different sites in the host matrix. It is possible to excite site selectively the dominant site (designated B) for both compounds. Properties of the lowest excited electronic states of 3MLCT character of these sites of the partially deuterated dopants (n = 1, 2) are compared to the properties of the fully protonated (n = 3) and the fully deuterated (n = 0) species. The electronic origins lie at 14 223 cm-1 (n = 3), 14 238 cm-1 (site B, n = 2), 14 233 cm-1 (site B, n = 1), and 14 256 cm-1 (n = 0). Within the experimental error of +/- 1 cm-1 they are found at exactly the same energies in emission and excitation. The emission spectra of the four compounds exhibit rich vibrational satellite structures, being connected with these origins. A comparison of the satellite structures reveals that in the vibrational energy range of the metal-ligand modes the metal couples the different ligands, while in the energy range of the ligand modes (above almost-equal-to 500 cm-1) the modes can be attributed to the individual ligands. This leads to the interesting result that the partially deuterated complexes exhibit (to the same electronic origin) vibrational lines, which occur also in the fully protonated and the fully deuterated compounds. For a given compound, the emission lifetimes tau are exactly the same, when measured at the energy of the origin and at any vibrational line, respectively. The decay is strictly monoexponential for every compound. The lifetimes increase upon deuteration [tau values: n = 3, 22 mus; n = 2 (site B), 26 mus; n = 1 (site B), 3 1 mus; n = 0, 46 mus]. These results lead to the conclusion-contrary to currently accepted models-that the excited electronic state is delocalized over all three ligands.