H(μ-H)Os3(CO)10(cyclopentylthiol) | 623163-20-2

• 英文名称: H(μ-H)Os3(CO)10(cyclopentylthiol)
• CAS: 623163-20-2；623562-64-1；623562-71-0
• 化学式: C₁₅H₁₂O₁₀Os₃S
• 分子量: 954.92
• InChiKey: RPUMEWZWPOMUAT-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：

  H(μ-H)Os3(CO)10(cyclopentylthiol) 以 二氯甲烷-D2 为溶剂， 生成 (μ-H)(μ-cyclopentylthiolato)Os3(CO)10
  参考文献：
  名称：

  Intramolecular hydrogen bonding in transition metal clusters: NMR evidence for an Os–H⋯H–S interaction in H(μ-H)Os3(CO)10(HSR) (R=ethyl, cyclopentyl)

  摘要：

  The reaction of H2Os3(CO)(10) with RSH (R = CH2CH3, cyclopentylthiol) at low temperatures in CD2Cl2 affords three H(mu-H)Os-3(CO)(10)(RSH) adducts, where, by the C-13 NMR carbonyl spectrum, it can be shown that the thiol ligand occupies an axial position. The presence of an intermolecular (MHHS)-H-... interaction in the main isomer has been determined by longitudinal relaxation time measurements. The isolation of the 14,14 dipolar contribution to the terminal hydride relaxation affords a value of 1.97 Angstrom for the 'unconventional' hydrogen-hydrogen interaction in H(mu-H)Os-3(CO)(10)(RSH) (R = cyclopentylthiol). An intramolecular proton transfer from the thiol ligand RSH to the terminal hydride, via a dihydrogen bonded species, ultimately losing an H, molecule. leading to the formation of the stable product (mu-H)Os-3(CO)(10)(mu-SR) is proposed. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(03)00120-8
• 作为产物：
  描述：

  decacarbonyltriosmiumdihydride 、 环戊硫醇 以 二氯甲烷-D2 为溶剂， 生成 H(μ-H)Os3(CO)10(cyclopentylthiol)
  参考文献：
  名称：

  Intramolecular hydrogen bonding in transition metal clusters: NMR evidence for an Os–H⋯H–S interaction in H(μ-H)Os3(CO)10(HSR) (R=ethyl, cyclopentyl)

  摘要：

  The reaction of H2Os3(CO)(10) with RSH (R = CH2CH3, cyclopentylthiol) at low temperatures in CD2Cl2 affords three H(mu-H)Os-3(CO)(10)(RSH) adducts, where, by the C-13 NMR carbonyl spectrum, it can be shown that the thiol ligand occupies an axial position. The presence of an intermolecular (MHHS)-H-... interaction in the main isomer has been determined by longitudinal relaxation time measurements. The isolation of the 14,14 dipolar contribution to the terminal hydride relaxation affords a value of 1.97 Angstrom for the 'unconventional' hydrogen-hydrogen interaction in H(mu-H)Os-3(CO)(10)(RSH) (R = cyclopentylthiol). An intramolecular proton transfer from the thiol ligand RSH to the terminal hydride, via a dihydrogen bonded species, ultimately losing an H, molecule. leading to the formation of the stable product (mu-H)Os-3(CO)(10)(mu-SR) is proposed. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(03)00120-8