(C5(CH3)5)Ru(carbonyl)2(formyl) | 88296-34-8

• 英文名称: (C5(CH3)5)Ru(carbonyl)2(formyl)
• CAS: 88296-34-8
• 化学式: C₁₃H₁₆O₃Ru
• 分子量: 321.338
• InChiKey: IQDYMBCHJVWJRC-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：

  (C5(CH3)5)Ru(carbonyl)2(formyl) 以 not given 为溶剂， 生成 (η5-C5Me5)Ru(CO)2hydride
  参考文献：
  名称：

  Nelson, Gregory O., Organometallics, 1983, vol. 2, # 10, p. 1474 - 1475

  摘要：

  DOI：
• 作为产物：
  描述：

  [(C5(CH3)5)Ru(carbonyl)3]BF4 在 {Ph₃PCuH}6 作用下， 以 四氢呋喃 为溶剂， 生成 (η5-C5Me5)Ru(CO)2hydride 、 (C5(CH3)5)Ru(carbonyl)2(formyl)
  参考文献：
  名称：

  通过氢化物转移从三苯基膦氢化铜 ([Ph3PCuH]6) 合成中性甲酰基钌。中性甲酰基配合物自由基引发分解的证据

  摘要：

  制备配合物 (η-C 5 Me 5 )Ru(CO) 2 CHO et (η-C 5 Me 5 )Ru(CO)(PMe 2 Ph)CHO et mecanisme de Leur分解

  DOI：

  10.1021/ja00314a035

文献信息

• Hydride Donor Abilities and Bond Dissociation Free Energies of Transition Metal Formyl Complexes
  作者：William W. Ellis、Alex Miedaner、Calvin J. Curtis、Dorothy H. Gibson、Daniel L. DuBois

  DOI：10.1021/ja0116831

  日期：2002.3.1

  The hydride complex [Pt(dmpe)2H]+ (dmpe = 1,2-bis(dimethylphosphino)ethane) reversibly transfers H- to the rhenium carbonyl complex [CpRe(PMe3)(NO)(CO)]+, giving the formyl CpRe(PMe3)(NO)(CHO). From the equilibrium constant for the hydride transfer (16.2), the DeltaGdegrees for the reaction was determined (-1.6 kcal/mol), as was the hydride-donating ability of the formyl (44.1 kcal/mol). The hydride-donating

  氢化物络合物 [Pt(dmpe)2H]+ (dmpe = 1,2-双(二甲基膦基)乙烷) 可逆地将 H- 转移到铼羰基络合物 [CpRe(PMe3)(NO)(CO)]+，得到甲酰基CpRe(PMe3)(NO)(CHO)。根据氢化物转移的平衡常数 (16.2)，确定了反应的 DeltaGdegrees (-1.6 kcal/mol)，甲酰基的氢化物供体能力 (44.1 kcal/mol) 也是如此。氢化物供体能力 DeltaGdegrees(H-) 定义为甲酰络合物将氢化物离子释放到溶液中所需的能量 [即 M(CHO) 右箭头 M(CO)+ + H-]。随后，确定了一系列甲酰基配合物的氢化物供体能力，范围为 44 至 55 kcal/mol。利用这些信息，两种铼羰基配合物 [CpRe(NO)(CO)2]+ 和 [Cp*Re(NO)(CO)2]+ 被氢化成甲酰基，采用 [Pt(dmpp)2]2+
• Nelson, Gregory O.; Sumner, Charles E., Organometallics, 1986, vol. 5, # 10, p. 1983 - 1990
  作者：Nelson, Gregory O.、Sumner, Charles E.

  DOI：——

  日期：——
• Generation of metal formyl complexes using nickel and platinum hydrides as reducing agents
  作者：Alex Miedaner、Daniel L. DuBois、Calvin J. Curtis、R. Curtis Haltiwanger

  DOI：10.1021/om00026a014

  日期：1993.2

  The five-coordinate nickel hydride complex [Ni(dmpe)2H]PF6, (1) [dmpe = 1,2-bis-(dimethylphosphino)ethane] was synthesized by protonation of Ni(dmpe)2 with NH4PF6. The platinum analog, [Pt(dmpe)2H]PF6 (2), and [Pt(depe)2H]PF6 (3) [depe = 1,2-bis(diethylphos-phino)ethane] were synthesized by reduction of the corresponding Pt(II) complexes with NaBH4 on alumina. Complexes 1 and 3 can also be synthesized electrochemically. Reduction of Ni-(dmpe)2(2+) by two electrons in the presence of ammonium ion generates 1, and reduction of Pt(depe)2(2+) in methanol or wet acetonitrile produces 3. These hydrides react with a variety of cationic metal carbonyl complexes to produce known metal formyl complexes. The structure of 3 was determined by X-ray diffraction. Complex 3 crystallizes in a monoclinic unit cell with P2(1)/c symmetry with a = 14.258 (4) angstrom, b = 9.648 (3) angstrom, c = 21.898 (5) angstrom, beta = 91.17 (2)-degrees, V = 3011.7 (14) angstrom3, Z = 4, and d(calcd) = 1.662 g/cm3. Full-matrix least-squares refinement converged with residuals R = 4.52% and R(w) = 5.90%.