OsH6(P(cyclohexyl)3)2 | 128086-55-5

• 分子结构分类: 有机化合物 - 有机磷化合物 - 有机膦及其衍生物
• 英文名称: OsH6(P(cyclohexyl)3)2
• CAS: 128086-55-5
• 化学式: C₃₆H₇₂OsP₂
• 分子量: 757.115
• InChiKey: YKJLGYKGIAWXNO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.32
• 重原子数：
  39.0
• 可旋转键数：
  8.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  盐酸 、 OsH6(P(cyclohexyl)3)2 以 正己烷 为溶剂， 以96%的产率得到OsH₂Cl₂(P(C₆H₁₁)3)2
  参考文献：
  名称：

  Carbynehydrido- and Vinylidenehydridoosmium Complexes with Os(PCy3)2 as a Molecular Unit

  摘要：

  DOI：

  10.1002/(sici)1099-0682(199906)1999:6<951::aid-ejic951>3.0.co;2-u
• 作为产物：
  描述：

  在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 OsH6(P(cyclohexyl)3)2
  参考文献：
  名称：

  Carr, Stuart W.; Fowles, Edmund H.; Fontaine, Xavier L. R., Journal of the Chemical Society, Dalton Transactions

  摘要：

  DOI：

文献信息

• Assessment of the "T1 criterion" for distinguishing between classical and nonclassical transition-metal hydrides: hydride relaxation rates in tris(triarylphosphine)osmium tetrahydrides and related polyhydrides
  作者：Peter J. Desrosiers、Lisheng Cai、Zerong Lin、Rosalie Richards、Jack Halpern

  DOI：10.1021/ja00011a019

  日期：1991.5

  [OsH4(PTol3)3] (1, Tol = p-tolyl) and a series of related isotopomers [OsH(x)D4-xP(Tol-o-d2)3}3] (x = 1, 2, 3, and 4) were prepared and hydride spin-lattice relaxation times, T1, determined as a function of temperature for each one. From these measurements the contributions to the relaxation rates of the hydride ligands from the other hydrides and from the ortho protons of the triarylphosphine ligands were determined to be 62% and 33%, respectively. Taking account of these, as well as of the contributions from the phosphorus nuclei (2%) and osmium nucleus (< 0.5%), the calculated relaxation rate, 4.17 s-1 (T1(min) = 238 ms at 500 MHz) agrees to within 3% with the measured one, 4.29 s-1. Similar calculations were performed on 33 other ''classical'' hydrides for which the relaxation rates at 500 MHz ranged from 1.67 to 9.09 s-1 (T1(min) at 500 MHz from 670 to 110 ms). For the majority of these, the calculated and observed relaxation rates agree to within 10%, with contributions from dipole-dipole interactions with nuclei other than metal-coordinated protons accounting for more than 60% of the observed relaxation rates. Such contributions, typically, have been neglected in previous interpretations of T1(min). For ''nonclassical'' hydrides, i.e. those containing eta-2-H-2 ligands, agreement between observed and calculated relaxation rates was less satisfactory. Even in such cases dipole-dipole interactions with nuclei other than metal-coordinated protons account for up to 25% of the observed relaxation rates emphasizing that, in general, such interactions cannot be ignored. There is an overlap between the range of T1(min) values found for classical and nonclassical polyhydrides. For several polyhydrides of undetermined structure, such as [OsH5(PTol3)3]+, [RuH4(PCy3)3], and [RuH6(PCy3)2] (including some that had previously been assigned nonclassical structures on the basis of the ''T1 criterion''), T1(min) is shown to be consistent with both classical and nonclassical structures.