(μ-η(5):η(5)-1-arsa-3,4-diphospha-2,5-di-tert-butylcyclopentadienyl)bis[(pentamethylcyclopentadienyl)ruthenium] hexafluorophosphate | 169063-34-7

• 分子结构分类: 有机化合物 - 碳氢化合物 - 芳香烃
• 英文名称: (μ-η(5):η(5)-1-arsa-3,4-diphospha-2,5-di-tert-butylcyclopentadienyl)bis[(pentamethylcyclopentadienyl)ruthenium] hexafluorophosphate
• CAS: 169063-34-7
• 化学式: C₃₀H₄₈AsP₂Ru₂*F₆P
• 分子量: 892.684
• InChiKey: RGXOOYMQXUPRBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.5
• 重原子数：
  42
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  (cyclopentadienyliron)(1-arsa-3,4-diphospha-2,5-di-tert-butylcyclopentadienyl)(pentamethylcyclopentadienyl)bis(acetonitrile)ruthenium hexafluorophosphate 以 硝基甲烷 为溶剂， 生成 (μ-η(5):η(5)-1-arsa-3,4-diphospha-2,5-di-tert-butylcyclopentadienyl)bis[(pentamethylcyclopentadienyl)ruthenium] hexafluorophosphate
  参考文献：
  名称：

  Syntheses and Structures of Diruthenium Triple-Decker Complexes with Bridging 1,2,4-Triphospholyl and 1-Arsa-3,4-Diphospholyl Anions

  摘要：

  Yellow-brown oils, characterized spectroscopically as [Cp*Ru(eta(5)-C-2-t-Bu(2)P(3))], 11, and [Cp*Ru(eta(5)-C-2-t-Bu(2)AsP(2))], 12, were isolated from the reaction of [Cp*Ru(CH3CN)(3)][PF6], 6, with [Li(C-2-t-Bu(2)P(3))], 2, or [Li(C-2-t-Bu(2)AsP(2))], 4, respectively. Both 11 and 12 reacted further with 6 to give the triple-decker complexes [Cp*Ru(mu-eta(5):eta(5)-C-2-t-Bu(2)P(3))RuCp*][PF6], 7, and [Cp*Ru(mu-eta(5):eta(5)-C-2-t-Bu(2)AsP(3))RuCp*][PF6], 8, in which the triphospholyl or arsadiphospholyl anions bridge two ruthenium centers. Both 7 and 8 have been characterized by single-crystal X-ray crystal structure determinations. Crystal data for C30H48F6P4Ru2, 7: M = 848.7, P2(1)2(1)2(1), a = 12.642(9) Angstrom, b = 15.151(10 Angstrom, c = 18.176(10) Angstrom, V = 3481.4 Angstrom(3), D-caled = 1.62 g cm(-3) (Z = 4) mu = 10.8 cm(-1) for Mo K alpha radiation (lambda = 0.7107 Angstrom), final R = 0.055, R(w) = 0.057, from 2716 observed reflections (3437 measured). Data for C30H48AsF6P3Ru2, 8: M = 892.7, P2(1)2(1)2(1), a = 12.650(9) Angstrom, b = 15.147(8) Angstrom, c = 18.111(10) Angstrom V = 3470.1 Angstrom(3), D-caled = 1.71. g cm(-3) (Z = 4) mu = 19.9 cm(-1) for Mo K alpha radiation (lambda = 0.7107 Angstrom), final R = 0.049, R(w) = 0.053, from 2760 observed reflections (3430 measured). Attempts to prepare mixed-metal triple-decker complexes by reacting [Fe(eta(5)-C(5)R(5))(eta(5)-C-2-t-Bu(2)P(3))] (R = H, 14a; R = Me, 14b] or [Fe(eta(5)-C(5)R(5))(eta(4)5-C-2-t-Bu(2)AsP(2))] (R = H, 15a; R = Me, 15b) with 6 were unsuccessful. Likewise, when either 14a or 15a is treated with 6 the intermediate complexes [Fe(eta(5)-C5H5)(eta(5)-C-2-t-Bu(2)P(3))RuCp*(CH3CN)(2)][PF6], 17, or [Fe(eta(5)-C5H5)(eta(5)-C-2-t-Bu(2)AsP(2))RuCp*(CH3 CN)(2)][PF6], 18, were isolated and spectroscopically characterized. When these were heated in nitromethane, a ring transfer occurred and the triple-decker species 7 or 8 was observed. Similar reactions involving 14b or 15b led directly to 7 or 8 without detection of any intermediate complexes.

  DOI：

  10.1021/om00009a048