| 459132-52-6

• CAS: 459132-52-6
• 化学式: C₁₆H₉NO₁₀Os₃
• 分子量: 945.848
• InChiKey: FMLIYUWQAHVATF-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

• 作为产物：
  描述：

  decacarbonyltriosmiumdihydride 、 苯胺 以 二氯甲烷-D2 为溶剂， 生成
  参考文献：
  名称：

  The effect of ligand basicity on the unconventional hydrogen-bond in H(μ-H)Os3(CO)10L (L=amine) derivatives

  摘要：

  The reaction of amine ligands with the unsaturated 46e(-) cluster Os-3(mu-H-2)(CO)(10) yields a series of complexes of formula Os3H(mu-H)(CO)(10)(amine). In these derivatives the presence of an unconventional hydrogen-bond M-H...H-N is detected by the evaluation of proton spin-lattice relaxation times. In order to elucidate the relationship between pK(b) and H...H length. the M-H...H-N distances were quantified for amines of known pK(b). In practice, this was achieved by comparing the T-1 values of the terminal hydride resonances of the protonated isotopomer with the T-1 values of the corresponding derivative containing selectively deuterated amine. A nice correlation between the M-H...H-N distances and the pK(b) of the amine ligands was found. DFT calculations were carried out for the cluster on Os3H(mu-H)(CO)(10)(Benzylamine) to gain a fuller understanding of the possible coordination geometries of an amine ligand on the surface of a tri-osmium cluster. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)00863-0