trans-[RuII(4-methoxypyridine)4(cyanate)2] | 1426293-04-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: trans-[RuII(4-methoxypyridine)4(cyanate)2]
• 英文别名: trans-[Ru^II(4-methoxypyridine)₄(cyanate)₂]；trans-[Ru(4-methoxypyridine)₄(CN)₂]；trans-[Ru(MeOpy)₄(CN)₂]；trans-Ru^II(4-MeOpyridine)4(CN)2
• CAS: 1426293-04-0
• 化学式: C₂₆H₂₈N₆O₄Ru
• 分子量: 589.616
• InChiKey: BREFFOCKSKSXGV-UHFFFAOYSA-N

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：

  trans-chloro(nitrosyl)tetra(pyridine)ruthenium hexafluorophosphate 、 trans-[RuII(4-methoxypyridine)4(cyanate)2] 在 sodium azide 作用下， 以 丙酮 为溶剂， 反应 73.0h， 以48%的产率得到trans-[Cl(pyridine)₄Ru(μ-NC)Ru(4-methoxypyridine)₄(μ-CN)Ru(pyridine)₄Cl](PF₆)₂
  参考文献：
  名称：

  Communication between Remote Moieties in Linear Ru–Ru–Ru Trimetallic Cyanide-Bridged Complexes

  摘要：

  In this article, we report the structural, spectroscopic, and electrochemical properties of the cyanide-bridged complex salts trans-[(NC)Ru-II(L)(4)(mu-CN)Ru-II(py)(4)Cl]PF6 and trans-[Ru-II(L)(4){(mu-CN)-Ru-II(py)(4)Cl}(2)](PF6)(2) (L = pyridine or 4-methoxypyridine). The mixed-valence forms of these compounds show a variety of metal-to-metal charge-transfer bands, including one arising from charge transfer between the remote ruthenium units. The latter is more intense when L = 4-methoxypyridine and points to the role of the bridging ruthenium unit in promoting mixing between the d pi orbitals of the terminal fragments.

  DOI：

  10.1021/ic302173g
• 作为产物：
  描述：

  potassium cyanide 、 trans-[Ru(4-methoxypyridine)₄Cl₂] 以 甲醇 为溶剂， 反应 3.0h， 以80%的产率得到trans-[RuII(4-methoxypyridine)4(cyanate)2]
  参考文献：
  名称：

  Communication between Remote Moieties in Linear Ru–Ru–Ru Trimetallic Cyanide-Bridged Complexes

  摘要：

  In this article, we report the structural, spectroscopic, and electrochemical properties of the cyanide-bridged complex salts trans-[(NC)Ru-II(L)(4)(mu-CN)Ru-II(py)(4)Cl]PF6 and trans-[Ru-II(L)(4){(mu-CN)-Ru-II(py)(4)Cl}(2)](PF6)(2) (L = pyridine or 4-methoxypyridine). The mixed-valence forms of these compounds show a variety of metal-to-metal charge-transfer bands, including one arising from charge transfer between the remote ruthenium units. The latter is more intense when L = 4-methoxypyridine and points to the role of the bridging ruthenium unit in promoting mixing between the d pi orbitals of the terminal fragments.

  DOI：

  10.1021/ic302173g

文献信息

• Influence of the Electronic Configuration in the Properties of d⁶–d⁵ Mixed-Valence Complexes
  作者：German E. Pieslinger、Bruno M. Aramburu-Trošelj、Alejandro Cadranel、Luis M. Baraldo

  DOI：10.1021/ic5002539

  日期：2014.8.18

  spectroscopic properties of four very closely related mixed-valence cyanide-bridged bimetallic complexes, trans-[Ru(T)(bpy)(μ-NC)Ru(L)4(CN)]3+ (T = tris(1-pyrazolyl)methane (tpm, a) or 2,2′;6′,2″-terpyridine, (tpy, b), and L = pyridine (py, 1) or 4-methoxypyridine (MeOpy, 2)). In acetonitrile all the complexes present intervalence charge transfer (IVCT) transitions in the NIR region, but their intensities

  我们在这里报告了四个密切相关的混合价氰化物桥联的双金属配合物，反-[Ru（T）（bpy）（μ-NC）Ru（L）4（CN）] 3+（T = tris （1-吡唑基）甲烷（tpm，a）或2,2'; 6'，2''-吡啶，（tpy，b），L =吡啶（py，1）或4-甲氧基吡啶（MeOpy，2）） 。在乙腈中，所有复合物在近红外区域均表现出间隔电荷转移（IVCT）跃迁，但它们的强度差异很大，在1a – b 3+处观察到的跃迁强度大约是在2a – b处观察到的跃迁强度的四倍。3+。（TD）DFT计算证实，这种相反的行为可以追溯到这些跃迁中所涉及的dπ受体轨道的不同性质。1a – b 3+的光谱学提供了证据，证明自旋密度在两个钌离子上离域化，例如IVCT谱带变窄，导致预期的三个谱带被分离，溶剂对能量的依赖性较弱。这些过渡。相反，2a – b 3+的光谱表明自旋密度位于一个钌离子上。这些系统中的IVCT由
• Synthesis and structural and spectroscopic properties of a cyanido-bridged mixed-valence compound [Fe–NC–Ru–CN–Fe]
  作者：Ming Liu、Yan Xiong、Weixiu Xu、Yong Wang

  DOI：10.1039/d3nj00049d

  日期：——

  two-electron oxidation product 3 is mainly attributed to the RuII→FeIII MMCT transitions. According to the classification of Robin and Day, compounds 2, 3 and 5 belong to the class II mixed-valence compounds. The IR spectra, MMCT band and redox splitting of compounds 2 and 5 indicate that replacing the py ligand in the central unit with MeOpy shows better electronic communication properties.

  氰化物桥接化合物trans -[Cp(dppe)Fe II (NC)Ru II (py) 4 (CN)Fe II (dppe)Cp][PF 6 ] 2 ( 1 , py = pyridine, dppe = bis (diphenylphosphino ) 乙烷, Cp = 环戊二烯基阴离子),反式-[Cp(dppe)Fe II (NC)Ru II (py) 4 (CN)Fe II I (dppe)Cp][PF 6 ] 3 ( 2 ),反式-[ Cp(dppe)Fe III (NC)Ru II (py) 4 (CN)Fe III(dppe)Cp][PF 6 ] 4 ( 3 ),反式-[Cp(dppe)Fe II (NC)Ru II (MeOpy) 4 (CN)Fe II (dppe)Cp][PF 6 ] 2 ( 4 , MeOpy = 4-甲氧基吡啶)和反式-[Cp(dppe)Fe III