trans-[OsCl(NO)(P-i-Pr3)2] | 132621-17-1

• 英文名称: trans-[OsCl(NO)(P-i-Pr3)2]
• CAS: 132621-17-1
• 化学式: C₁₈H₄₂ClNOOsP₂
• 分子量: 576.138
• InChiKey: SGALKGUCRFLEHX-UHFFFAOYSA-M

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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  trans-[OsCl(NO)(P-i-Pr3)2] 在 I₂ 作用下， 以 甲苯 为溶剂， 以97%的产率得到
  参考文献：
  名称：

  Werner, Helmut; Michenfelder, Annette; Schulz, Michael, Angewandte Chemie, 1991, vol. 103, p. 617 - 618

  摘要：

  DOI：
• 作为产物：
  描述：

  osmium(Cl)(NO)(triphenylphosphine)3 、 三异丙基膦 以 苯 为溶剂， 以91%的产率得到trans-[OsCl(NO)(P-i-Pr3)2]
  参考文献：
  名称：

  Werner, Helmut; Flügel, Ruth; Windmüller, Bettina, Organometallics, 1995, vol. 14, # 2, p. 612 - 618

  摘要：

  DOI：

文献信息

• Fluegel, Ruth; Gevert, Olaf; Werner, Helmut, Chemische Berichte, 1996, vol. 129, # 4, p. 405 - 410
  作者：Fluegel, Ruth、Gevert, Olaf、Werner, Helmut

  DOI：——

  日期：——
• Werner, Helmut; Fluegel, Ruth; Windmueller, Bettina, Chemische Berichte, 1997, vol. 130, # 4, p. 493 - 505
  作者：Werner, Helmut、Fluegel, Ruth、Windmueller, Bettina

  DOI：——

  日期：——
• NO binds to unsaturated Os(IV) polyhydrides as a redox reagent
  作者：Joo-Ho Lee、Andrei N. Vedernikov、David Dye、Kenneth G. Caulton

  DOI：10.1016/j.jorganchem.2007.01.059

  日期：2007.7

  Reaction of Os(H)(3)ClL2(L=(PPr3)-Pr-i) with equimolar NO occurs via a detectable paramagnetic species, to form OsCl(NO)L-2 + H-2, then Os(H)(2)Cl(NO)L-2, together with the product of halogen transfer, OsHCl2(NO)L-2. For comparison, equimolar NO and the dichloride Os(H)(2)Cl2L2 react to give OsHCl2(NO)L-2. DFT(PBE) calculations on potential radical intermediates reveal cases where spin density is on NO (vs. on Os), and show how coordinated H-2 can lead to the observed halogen transfer. (c) 2007 Elsevier B.V. All rights reserved.
• Os(H)₂NO(PⁱPr₃)₂⁺:  Mechanism and Energetics of a Room Temperature Reversible Ethyl/Hydridoethylene Equilibrium and Contrasting Double Insertion of Acetylene
  作者：Dmitry V. Yandulov、John C. Bollinger、William E. Streib、Kenneth G. Caulton

  DOI：10.1021/om000901g

  日期：2001.5.1

  cis,trans-Os(H)(2)(NO)L-2(+) (L = (PPr3)-Pr-i) rapidly adds ethylene to give an eta (2)-ethylene complex with C2H4 trans to one hydride and cis to the other. One hydride and the four ethylene protons are exchanging reversibly above -20 degreesC, with a measured DeltaG(double dagger) (20 degreesC) of 15 kcal/mol. DFT calculations on the rearrangement reveal bond making and breaking, as well as migration of the nonexchanging hydride. Nitrosyl bending is not involved. Use of acetylene leads to insertion into both Os-H bonds; the resulting Os(CH=CH2)(2)(NO)L-2(+) was fully characterized as having inequivalent vinyl groups and undergoes facile vinyl ligand site exchange in solution.