dicarbonyltris(trimethylphosphine)cobalt(I) tetraphenylborate | 52611-65-1

• 英文名称: dicarbonyltris(trimethylphosphine)cobalt(I) tetraphenylborate
• CAS: 52611-65-1；38268-96-1
• 化学式: C₁₁H₂₇CoO₂P₃*C₂₄H₂₀B
• 分子量: 662.482
• InChiKey: SNMWMXRREDFQKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  一氧化碳 、 tetrakis(trimethylphosphine)cobalt(I) tetraphenylborate 以 not given 为溶剂， 生成 dicarbonyltris(trimethylphosphine)cobalt(I) tetraphenylborate
  参考文献：
  名称：

  Synthesis, Structure, Spectroscopy, and Reactivity of Oxapentadienyl−Cobalt−Phosphine Complexes^,

  摘要：

  The first examples of oxapentadienyl-cobalt complexes have been synthesized and structurally characterized. Treatment of (Cl)Co(PMe3)(3) with potassium oxapentadienide produces ((1,2,3-eta)-5-oxapentadienyl)Co(PMe3)(3) (1), while the reaction of (Cl)Co(PMe3)(3) with potassium 2,4-dimethyloxapentadienide generates ((1,2,3-eta)-2,4-dimethyl-5-oxapentadienyl)Co(PMe3)(3) (2). Both 1 and 2 undergo ligand substitution reactions when treated with excess carbon monoxide. Compound 1 reacts with 1 equiv of CO to produce ((1,2,3-eta)-5-oxapentadienyl)Co(PMe3)(2)(CO) (3), while 2 undergoes a double CO substitution to generate ((1,2,3-eta)-2,4-dimethyl-5-oxapentadienyl)Co(PMe3)(CO)(2) (4). Compound 3 can also be synthesized by reacting (Cl)Co(PMe3)(2)(CO)(2) with potassium oxapentadienide, but the analogous reaction involving potassium 2,4-dimethyloxapentadienide results in reduction of the cobalt starting material and production of the Co(0) dimer (CO)(PMe3)(2)Co(PMe)(2)Co(PMe3)(2)(Co) (5). Treatment of 1 with triflic acid (HO3SCF3) or methyl triflate (MeO3SCF3) results in electrophilic attack at oxygen and production of (eta(4)-butadienol)Co(PMe3)(3)+O3SCF3- (6) or (eta(4)-butadienyl methyl ether)Co(PMe3)3+O3SCF3- (7). Treatment of 2 with triflic acid or methyl triflate also results in electrophilic attack at oxygen; however, these products are unstable and rapidly lose their protonated or methylated ligands. The resulting Co(PMe3)4+O3SCF3-, generated in situ, reacts with excess carbon monoxide to produce Co(PMe3)(3)(CO)(2)+O3SCF3- (8). Compounds 1-8 have been characterized by single-crystal X-ray diffraction.

  DOI：

  10.1021/om100361a

文献信息

• trimethylphophinecobalt(I) complexes: crystal and molecular structure of [Co(CO)2(PMe3)3]BPh4
  作者：Yolande pérès、Abdelrazak Kerkeni、Michèle dartiguenave、Yves Dartiguenave、Francine bélanger-gariépy、André L. Beauchamp

  DOI：10.1016/0022-328x(87)80433-3

  日期：1987.4

  equatorial CO ligands) and a square pyramid (with trans basal CO ligands), defining an intermediate configuration along the interconversion pathway in the Berry process. The Co-P distance (2.246 Å) to the unique PMe3 ligand (apical in the square pyramid or equatorial in the trigonal bipyramid) is longer than the other two (2.209 and 2.211 Å). The CoCO bond lenghts are 1.740 and 1.766 Å. the v(CO) infrared

  四苯基硼酸二羰基三（三甲基膦）钴（I）晶体属于单斜空间群P 2 1 / c，具有10.135（4），b 12.630（4），c 29.35（1）Å，β106.11（3）°和Z =4。通过2969次非零Cu-K反射将结构细化为R = 0.043。所述单位单元包含离散BPH 4 -阴离子和[Co（CO）2（PME 3）3个+阳离子。阳离子的配位几何结构大致位于三角形双锥（带有赤道CO配体）和方形金字塔（带有双锥）之间。反式基础的CO配体），定义了Berry过程中沿相互转化途径的中间构型。到唯一的PMe 3配体（在方形金字塔中的顶峰或在三角双锥体中的赤道）的Co-P距离（2.246Å）比其他两个（2.209和2.211Å）更长。CoCO键长度为1.740和1.766Å。的v（CO）红外波段指示相同的几何形状被保持在CH 2氯2和丙酮。
• Bouayad, Abdessalam; Dartiguenave, Michèle; Menu, Marie-Joëlle, Organometallics, 1989, vol. 8, # 3, p. 629 - 637
  作者：Bouayad, Abdessalam、Dartiguenave, Michèle、Menu, Marie-Joëlle、Dartiguenave, Yves、Bélanger-Gariépy, Francine、Beauchamp, André L.

  DOI：——

  日期：——