| 143788-58-3

• CAS: 143788-58-3；143788-54-9
• 化学式: C₈H₂₀N*C₃₈H₃₁FeO₈P₂
• 分子量: 863.707
• InChiKey: RXZDERZLMVBNRA-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：

  以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Wander, Sheryl A.; Reibenspies, Joseph H.; Kim, Jang Sub, Inorganic Chemistry, 1994, vol. 33, # 7, p. 1421 - 1426

  摘要：

  DOI：
• 作为产物：
  描述：

  tetraethylammonium hydroxide 、 cis-dihydrido-trans-bis(triphenylphosphite)dicarbonyliron 以 四氢呋喃 为溶剂， 以85%的产率得到
  参考文献：
  名称：

  富电子氢化铁HFe（CO）2（P（OPh）3）2-的合成，表征及其硫醇盐取代基配体的氧化还原

  摘要：

  The bis(phosphite) anionic hydride [Et4N+][HFe(CO)2(P(OPh)3)2-] has been synthesized by deprotonation of H2Fe(CO)2(P(OPh)3)2 with [Et4N+][OH-]. The [Et4N+][HFe(CO)2(P(OPh)3)2-] salt was characterized by X-ray diffraction, crystallizing in the monodinic space group Cc (No. 9) with a = 15.821 (4) angstrom, b = 15.168 (3) angstrom, c = 19.125 (5) angstrom, beta = 111.05 (2)-degrees, V = 4283 (2) angstrom3, and Z = 4. In the solid state the hydride anion has a distorted-trigonal-bipyramidal geometry in which the hydride ligand occupies an axial position with an Fe-H bond distance of 1.47 angstrom. One triphenyl phosphite ligand is cis to the hydride and has an Fe-P(eq) bond distance of 2.076 (1) angstrom, the other is trans with Fe-P(ax) = 2.083 (1) angstrom, and angle P(eq)-Fe-P(ax) is 103.2 (1)-degrees. Analysis of the nu(CO) infrared and H-1 NMR results imply that in solution the isomer in which both phosphite ligands are cis to the hydride predominates as the ground-state structure. The alkali-metal cations Na+ and K+ form contact ion pairs with [HFe(CO)2(P(OPh)3)2-], specifically interacting with the carbonyl oxygens of both CO ligands simultaneously. The [HFe(CO)2(P(OPh)3)2-] anion reacts with PhSSPh to yield [Et4N+][(PhS)Fe(CO)2(P(OPh)3)2-] but is unreactive with MeSSMe and t-BuSS-t-Bu.

  DOI：

  10.1021/om00046a012