RuCl₃(isopropyl-S-phenyl)₂(CH₃OH) | 1271489-38-3

• 英文名称: RuCl₃(isopropyl-S-phenyl)₂(CH₃OH)
• 英文别名: RuCl₃(iPrSPh)₂(MeOH)；RuCl3(iPrSPh)2(CH3OH)；mer-RuCl3(iPrSPh)2(CH3OH)
• CAS: 1271489-38-3；32648-22-9
• 化学式: C₁₉H₂₈Cl₃ORuS₂
• 分子量: 543.992
• InChiKey: UQBVHVLTPSXCSL-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 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：

  RuCl₃(isopropyl-S-phenyl)₂(CH₃OH) 、 4'-(4-溴苯基)-α,α',α''-三吡啶 以 乙腈 为溶剂， 生成 Ru(4′-4-bromophenyl-2,2′:6′,2″-terpyridine)Cl3
  参考文献：
  名称：

  Paramagnetic Ru(III) complexes of tridentate ligands: Characterization of useful intermediates for heteroleptic Ru(II) complexes

  摘要：

  Paramagnetic Cl3Ru(L) complexes of tridentate ligands (2a: L = 1a = 4'-(p-bromophenyl)-2,2':6',2 ''-terpyridine; 2b: L = 1b = 6-(p-bromophenyl)-2,4-dipyrid-2-yl-1,3,5-triazine) were synthesized in a high-yield method with facile isolation of these useful synthons. The complexes were isolated in high purity and were characterized by several methods, including standard techniques such as H-1 NMR and electrospray ionization mass spectrometry. The H-1 NMR of the complexes displayed peaks from +10 to 37 ppm, with the protons ortho to the nitrogen atoms coordinated to the paramagnetic centre being shifted the most (2a: H-6.6 '' = -35.3 ppm; 2b: H-6.6 '' = -26.1 ppm), while the protons on the non-bonding phenyl rings were relatively unchanged with respect to their uncomplexed ligands. The electronic absorption spectra of the complexes displayed both (LMCT)-L-1 bands (Cl-to-Ru, 2a: lambda max= 405 nm; 2b: lambda max = 420 nm) and (MLCT)-M-1 (Ru-to-L, 2a: lambda max = 486 nm; 2b: lambda max = 567 nm) bands. Due to the ease of purification and high yields, the use of complex 3, first introduced by Chatt, is the method of choice to form Cl3Ru(L) complexes of tridentate ligands. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2010.12.011

文献信息

• Near infra-red emission from a mer-Ru(ii) complex: consequences of strong σ-donation from a neutral, flexible ligand with dual binding modes
  作者：Amlan K. Pal、Nelsi Zaccheroni、Sebastiano Campagna、Garry S. Hanan

  DOI：10.1039/c3cc49880h

  日期：——

  A rare example of dual coordination modes by a novel tridentate ligand gives rise to unique fac-and mer-Ru(II/III) complexes. The mer-RuII-complex displays the farthest red-shift of a triplet metal-to-ligand charge transfer (3MLCT) emission with a tridentate ligand for a mononuclear complex. This observation is a consequence of large bite angle and strong σ-donation by the ligand, the combined effect of which helps to separate the energy of the 3MLCT and 3MC states.

  一个新型三齿配体的双配位模式的罕见例子产生了独特的fac-和mer-Ru(II/III)复合物。mer-RuII-复合物显示出单核复合物中使用三齿配体时三重态金属-配体电荷转移（3MLCT）发射的最大红移。这个观察结果是由于配体的大咬角和强σ-供体效应所致，二者的联合作用有助于分离3MLCT和3MC状态的能量。
• Dyads and Triads Based on Phenothiazine, Bis(terpyridine)ruthenium(II) Complexes, and Fullerene
  作者：Kevin Barthelmes、Andreas Winter、Ulrich S. Schubert

  DOI：10.1002/ejic.201600793

  日期：2016.11

  donor–photosensitizer–bridge–acceptor (D–P–B–A) triads and D–P dyads for the formation of photoinduced charge-separated species. The structures are based on a phenothiazine unit (D), a bis(terpyridine) [bis(tpy)] ruthenium(II) complex (P), several phenylene(ethynylene)-type spacer units (B), and a pyrrolidino[60]fullerene entity (A). The donor–acceptor distance is between 18 and 37 A and was varied by four different

  我们报告了供体-光敏剂-桥-受体（D-P-B-A）三元组和 D-P 二元组的模块化合成，用于形成光诱导的电荷分离物种。该结构基于吩噻嗪单元 (D)、双(三联吡啶) [双 (tpy)] 钌 (II) 配合物 (P)、几个亚苯基(乙炔) 型间隔单元 (B) 和一个吡咯烷 [60 ]富勒烯实体(A)。供体-受体距离在 18 到 37 A 之间，并由四个不同的桥接单元改变。光物理和电化学表征揭示了地面中的活性部分与激发态之间的某些相互作用。特别是，三元组中减少的基于钌的发射表明发生了由富勒烯实体介导的猝灭过程。
• Discrete Covalent Organic–Inorganic Hybrids: Terpyridine Functionalized Polyoxometalates Obtained by a Modular Strategy and Their Metal Complexation
  作者：Marie-Pierre Santoni、Amlan K. Pal、Garry S. Hanan、Anna Proust、Bernold Hasenknopf

  DOI：10.1021/ic200752v

  日期：2011.7.18

  combined with metal complexes that play a role as (i) chromophores toward charge-separated systems in light-harvesting devices and (ii) coordination motifs for metal-directed self-assembly toward multifunctional molecular hybrid materials. The X-ray crystal structures of polyoxometalate-terpyridine hybrids indicate distances of 21 Å and 19 Å between the two terpyridyl coordination sites in 2 and 3, respectively

  有机-无机杂化体作为功能分子材料的合理设计和合成，既取决于构建基块的仔细构想，也取决于其组装策略。三族多金属氧酸酯（Lindqvist 2，Anderson 3，Dawson 4）嫁接了远端的吡啶吡啶配位位点，以扩展可用的结构单元。这些新单元可与金属配合物结合，这些金属配合物的作用是：（i）集光装置中发色团朝向电荷分离系统，以及（ii）配位基元用于金属定向自组装而形成多功能分子杂化材料。多金属氧酸盐-吡啶吡啶杂化物的X射线晶体结构分别表示2和3中两个吡啶基配位点之间的21Å和19Å的距离，配位向量之间的角度分别为180°和177.4°。与SCE相比，Lindqvist 2在−0.52 V时显示出降低，而Anderson 3表现出一种归因于Mn（III）/ Mn（IV）的可逆氧化（+0.75 V vs SCE）和在-1.28 V vs SCE处的宽波归因于Mn（III）/ Mn（II）还原。Dawson
• Exploiting Orthogonal C–C Cross-Coupling Reactions for Chemistry-on-the-Complex: Modular Assembly of 2,6-Di(quinolin-8-yl)pyridine Ruthenium(II) Photosensitizer Triads
  作者：Alexander Kleine、Ulrich S. Schubert、Michael Jäger

  DOI：10.1021/acs.inorgchem.3c03380

  日期：2024.3.4

  well as building block assemblies using both a triarylamine-based donor and a naphthalene diimide-based acceptor in up to 86% isolated yield. Additionally, the developed purification via automated flash chromatography is simple compared to tedious manual chromatography for ruthenium(II)-based substrates in the classical route. Based on the preliminary characterization by steady-state spectroscopy,

  在这项工作中，我们提出了一种简明的模块化组装策略，使用一种通用杂配2,6-二(喹啉-8-基)吡啶基钌(II)络合物作为起始构建块。将概念从已建立的配体修饰和随后的络合（经典路线）延伸出来，后来出现的络合物化学方法被用于后期合成，即，将离散的构建块组装成分子结构（此处：二联体和三联体） 。我们重点关注铃木-宫浦和园头交叉偶联反应，这是两种最著名的 C-C 键形成反应。两者均在带有溴和 TIPS 保护的炔烃的一个结构单元复合物上进行，用于官能团互变（溴至 TMS 保护的炔烃、苄基叠氮化物或硼酸频哪醇酯部分，分离产率≥95%，且纯化简单）如下以及使用基于三芳胺的供体和基于萘二酰亚胺的受体的构建块组件，分离产率高达 86%。此外，与传统途径中基于钌(II)的底物的繁琐的手动色谱法相比，通过自动快速色谱法进行的纯化是简单的。基于稳态光谱的初步表征，观察到的三元组（55％）中的发射猝灭可以作为通过复合