Ru3(CO)11(acetonitrile) | 84896-12-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: Ru3(CO)11(acetonitrile)
• 英文别名: Ru3(CO)11(NCMe)；Acetonitrile;carbon monoxide;ruthenium
• CAS: 84896-12-8；168038-94-6
• 化学式: C₁₃H₃NO₁₁Ru₃
• 分子量: 652.377
• InChiKey: LPTUGIYIXXXYFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.11
• 重原子数：
  28
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  34.8
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  Ru3(CO)11(acetonitrile) 以 二氯甲烷 、 乙腈 为溶剂， 生成 (Ru3(CO)11)2(μ-bis(diphenylphosphino)butadiyne)
  参考文献：
  名称：

  Cluster chemistry. Part 91. Clusters derived from 1,4-Bis (diphenylphosphino)buta-1,3-diyne and their pyrolysis products: a route to complexes containing the tetracarbon ligand

  摘要：

  Reactions of (Mn(CO)11(NCMe)] (M(n) = Ru3, Os3, Re3(mu-H)3, or Ru4(mu-H4)4] with the linear bis(phosphine) PPh2C2C2PPh2(bdpp) afford the 'barbell' complexes [{Mn(CO)11}2(mu-bdpp)] [M(n) = Ru3 1 (38), Os3 2 (68), Re3(mu-H), 4 (44), or Ru4(mu-H)4 6 (39%)]. The monosubstituted complexes [Mn(CO)11(bdpp)] [M(n) = Os3 or Re3(mu-H)3 5] were isolated when an excess of bdpp was used. Reactions of 3 with [M3(CO)11(NCMe)] [M3 = Ru3 or Re3(mu-H)3] afforded the mixed-metal complexes [{Os3(CO)11}(mu-bdpp){M3(CO)11}] [M3 = Ru 7 (40) or Re3(mu-H)3 8 (63%)]. In a similar fashion [{Re3(mu-H)3(CO)11)(mu-bdpp){Ru3(CO)11}] 9 was prepared (38%) from 5 and [Ru3(CO)11(NCMe)]. When a solution of 1 in CH2Cl2 was gently heated under a nitrogen purge the C4 complex [{Ru3(mu-PPh2)(CO)9}2(mu3:mu3-C4)] 10 was produced in 73% yield. Without purging, the yield is much reduced; a minor product from the reaction is [{Ru4(mu-H)(CO)12}{mu4-PPh(C6H4)C2C2PPh2}{Ru3(CO)11}] 11. Complex 11 contains an Ru3(CO)11 moiety linked via a PPh2C2C2PPh(C6H4) ligand to an Ru3-spiked RU3 Cluster. One of the C2 units is attached in a mu-sigma,sigma,eta2-vinylic mode to the spike Ru and to two of the three Ru atoms in the closed triangular core. When 11 was recrystallised from CH2Cl2-MeOH the complex [{Ru4(mu3-OMe)(mu-PPh2)(CO)10}{mu4-CCH-mu-eta2-C2){RU2(mu-PPh2)(CO)6}] 12 was formed. This complex contains an Ru4 rhombus, opposite faces of which carry mu3-OMe and a mu4-vinylidene ligand; the latter is attached via a C-C single bond to the binuclear fragment. The complex [{Os3(mu-PPh2)(CO)9}2(mu3:mu3-C4)] 13 was obtained (78%) by pyrolysis of 2 in refluxing toluene. The structures of complexes 6 and 10-13 were determined by single-crystal X-ray studies.

  DOI：

  10.1039/dt9930003299
• 作为产物：
  描述：

  十二羰基三钌 在 乙腈 作用下， 以 乙腈 为溶剂， 以60%的产率得到Ru3(CO)11(acetonitrile)
  参考文献：
  名称：

  有机金属簇中的电子转移：十一。M 3（CO）12（M = Ru，Os）和PPh 3衍生物的氧化还原化学；亲核取代的催化机理

  摘要：

  对于所有溶剂中的M 3（CO）12和M 3（CO）12 - n（PPh 3）n（M = Ru，Os）团簇，已经建立了涉及一种机理的双电子还原过程的一般性。CH 2 Cl 2中的详细电量分析和光谱研究为形成“开放的” M 3（CO）12 2-物种（半衰期小于10的三自由基自由基阴离子M 3（CO）12- ·）提供了有力证据。CH 2 Cl 2中的-6 s。然而，电化学反应对水的存在敏感并且是浓度依赖性的。仅在<5×10 -4 mol dm -3的低浓度下和在干燥箱条件下才能检测到“开放”的M 3（CO）12 2-的电化学响应。通过对这些阴离子在CH 2 Cl 2中的电化学研究，证实了在较高浓度下和存在水M 3（CO）11 2-和M 6（CO）18 2-的条件下研磨的电活性物质。HM 3（CO）11 -不是一个产品。夫妻[M6（CO）18 ] - / 2-是在一定条件下但HM的氧化化学可逆3（CO）11

  DOI：

  10.1016/0022-328x(87)85060-x

文献信息

• Structural and nuclear magnetic resonance studies of triosmium and triruthenium carbonyl cluster derivatives containing pentaphenylcyclopentaphosphane
  作者：How-Ghee Ang、Siau-Gek Ang、Qi Zhang

  DOI：10.1039/dt9960003843

  日期：——

  gave a different cluster [Os3(CO)10(PPh)5}2]3. The clusters [Os3(CO)11(PPh)5}]4 and [Os3(CO)11}2(PPh)5}]5 were obtained from reaction of (PPh)5 with [Os3(CO)11(NCMe)]. Compound 4 reacted with [Ru3(CO)11(NCMe)] to generate the cluster [(OC)11Os3(PPh)5}Ru3(CO)11]6. Compounds 4 and 5 were converted into 1 and 2 when heated in sealed tubes at 80 °C. In clusters 1 and 2 the triosmium unit is chelated

  pentaphenylcyclopentaphosphane的反应（PPH）5与[O的3（CO）10（NCMe）2 ]在1：1分的摩尔比，得到的一对反转的异构体的1和2，具有分子式[O的3（CO）10 （PPh）5 }]。以3∶1的摩尔比进行的类似反应给出了不同的簇[Os 3（CO）10 （PPh）5 } 2 ] 3。群集[Os 3（CO）11 （PPh）5 }] 4和[Os 3（CO）11} 2 （PPh）5 }] 5由（PPh）5与[Os 3（CO）11（NCMe）]的反应获得。化合物4与[Ru 3（CO）11（NCMe）]反应，生成团簇[（OC）11 Os 3 （PPh）5 } Ru 3（CO）11 ] 6。在密封管中于80°C加热时，化合物4和5转化为1和2。在群集1和2中os单元被环膦配体通过环中的1,3-磷原子螯合，它们的主要区别在于与未配位的磷相连的芳环所采用的
• The synthesis and characterisation of new triosmium and triruthenium main-group metal clusters M3(H)(CO)11(M′R3) and Os3(H)(CO)10(CH3CN)(M′R3) (M = Os, Ru; M′ = Ge, Sn; R, aryl, alkyl)
  作者：K. Burgess、C. Guerin、B.F.G. Johnson、J. Lewis

  DOI：10.1016/0022-328x(85)88081-5

  日期：1985.11

  ligand from the compounds M3(CO)12-n(MeCN)n (n = 1 or 2) by organo-germanes and -stannanes provides a general method for the preparation of triosmium- and triruthenium-Main-Group metal clusters of the type M3(H)(CO)11(M′R3) and Os3(H)(CO)10(CH3CN)(M′R3) (M = Ru, Os; M = Ge, Sn).

  有机锗烷和-锡烷置换化合物M 3（CO）12- n（MeCN）n（n = 1或2）中的（CH 3 CN）配体提供了制备tri和三钌的通用方法-M 3（H）（CO）11（M'R 3）和Os 3（H）（CO）10（CH 3 CN）（M'R 3）型主族金属簇（M = Ru， Os； M ＝ Ge，Sn）。
• The preparation, characterization and some reactions of [Ru3(CO)11(NCMe)] and [Ru3(CO)10(NCMe)2]
  作者：G.A. Foulds、B.F.G. Johnson、J. Lewis

  DOI：10.1016/0022-328x(85)80345-4

  日期：1985.11

  clusters [Ru3(CO)11(NCMe)] and [Ru3(CO)10(NCMe)2] have been prepared from the reaction of [Ru3(CO)12] with NMe3O in the presence of CH3CN. Thus, these new clusters have been shown to be convenient precursors in the preparation of other Ru3 cluster species. [Ru3(CO)11(NCMe)] reacts with ligands L (L = P(OMe)3 and PPh3) to form [Ru3(CO)11L] derivatives, while [Ru3(CO)10(NCMe)2] reacts to form [Ru3(CO)10L2] derivatives

  由[Ru 3（CO）12 ]与NMe 3 O在CH的存在下反应制备了[Ru 3（CO）11（NCMe）]和[Ru 3（CO）10（NCMe）2 ]簇。3 CN。因此，这些新的团簇已被证明是制备其他Ru 3团簇物种的便利前体。[Ru 3（CO）11（NCMe）]与配体L（L = P（OMe）3和PPh 3）反应形成[Ru 3（CO）11 L]衍生物，而[Ru 3（CO）10（NCMe）2 ]反应形成[Ru 3（CO）10 L 2 ]衍生物。两个簇都与CH 3 CH 2 SH，HCCPh，PhCCPh和C 5 H 5 N反应形成[HRu 3（CO）10（SCH 2 CH 3）]，[HRu 3（CO）9（C 2 Ph）]，[Ru 3（CO）8（C 2 Ph 2）2 ]和[HRu 3（CO）10（C 5 H 4 N）]。
• Ru3(CO)9B2H6: A metal-rich ruthenaborane analogue of pentaborane(9) and a model for a triruthenium supported unsaturated hydrocarbon
  作者：Ann K. Chipperfield、Catherine E. Housecroft、Dorn M. Matthews

  DOI：10.1016/0022-328x(90)87081-n

  日期：1990.2

  isolation, and the characterisation of the metal-rich ruthenaborane Ru3(CO)9B2H6 are reported. The cluster is formally derived from pentaborane(9) by the replacement of three BH} by Ru(CO)3} units, and it is also an isoelectronic analogue of Ru3(CO)9C2H4. Deprotonation occurs by loss of an RuHRu proton. The anion [Ru3(CO)9B2H5]− is static on the NMR timescale, thereby behaving in a similar manner

  报道了通过两种独立途径的制备，富金属的钌硼烷Ru 3（CO）9 B 2 H 6的分离和表征。该簇通过Ru（CO）3 }单元替换三个BH}而正式衍生自五硼烷（9），并且它也是Ru 3（CO）9 C 2 H 4的等电子类似物。去质子化是由于RuHRu质子的损失而发生的。阴离子[Ru 3（CO）9 B 2 H 5 ] -在NMR时标上是静态的，因此其行为与相关阴离子[Fe]相似。2（CO）6 B 3 H 7 ] -，而与等离子的[B 5 H 8 ] -阴离子是相反的。
• Coordination chemistry of mono- and di-nitriles in [Ru3(CO)12−n(RCN)n] (n = 1–3): influence of the CO/nitrile ratio on fluxionality
  作者：Pierre Grenouillet、Claude de Bellefon

  DOI：10.1016/0022-328x(95)05975-u

  日期：1996.5

  The clusters [Ru3(CO)12−n(RCN)n] (n = 1–3; RCN = acetonitrile, adiponitrile, phenylenediacetonitrile) have been prepared in dichloromethane solution by reaction of [Ru3(CO)12] with Me3NO in the presence of the desired nitrile. The number of coordinated nitriles depends on the nitrile concentration and to a lesser extend on the Me3NO/Ru3 ration. The new cluster [Ru3(CO)9(MeCN)3] is prepared and isolated

  通过[Ru 3（CO）12 ]与Me反应，在二氯甲烷溶液中制备了簇[Ru 3（CO）12- n（RCN）n ]（n = 1-3; RCN =乙腈，己二腈，苯二乙腈）在所需腈存在下的3 NO。配位腈的数量取决于腈浓度，较小程度上取决于Me 3 NO / Ru 3的比值。制备并分离了新的簇[Ru 3（CO）9（MeCN）3 ]。光谱红外和13溶液中的13 C NMR研究表明，二腈保持单配位，但仅在浓缩培养基（1M <[RCN] <4M）中。光谱数据表明腈的轴向配位，每个钌原子上的配位和赤道架桥的羰基。对于的[Ru 3（CO）7（μ 2 -CO）3（MeCN中）2 ]中，两个腈位于三钌平面的每一侧，而对于的[Ru 3（CO）6（μ 2 -CO）3（MeCN）3 ]，两个MeCN位于三钌平面的一侧，第三个位于另一侧。恒温1313 C NMR研究揭示了三金属核周围羰基的通量。第一通量运动涉及平面内的