tetraphenylarsonium cis-dihydridotetracarbonylrhenate | 118831-27-9

• 英文名称: tetraphenylarsonium cis-dihydridotetracarbonylrhenate
• CAS: 118831-27-9
• 化学式: C₄H₂O₄Re*C₂₄H₂₀As
• 分子量: 683.609
• InChiKey: IOUYXZYZJVVNTJ-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：

  tetraphenylarsonium cis-dihydridotetracarbonylrhenate 以 乙醇 为溶剂， 以20%的产率得到
  参考文献：
  名称：

  Structural characterization in solid state and solution of the hydridocarbonyl cluster anion [Re4(ν-H)4(CO)13]12−

  摘要：

  The salt [AsPh4]2[Re4(mu-H)4(CO)13], obtained by pyrolysis of [AsPh4][ReH2(CO)4] in ethanol, has been investigated by X-ray analysis. The crystals are monoclinic, space group P2(1)/n, with a = 12.630(3), b = 38.062(6), c = 12.916(3) angstrom, beta = 105.94(2)-degrees and Z = 4. The refinements, performed by full-matrix least-squares on the basis of 3389 significant reflections, gave final agreement indices R and R(w) of 0.035 and 0.040, respectively. The anion contains a tetrahedron of rhenium atoms [Re-Re in the range 3.048(1)-3.126(1) angstrom], bearing thirteen terminal carbonyl groups and four edge-bridging hydride ligands. The variable temperature H-1 NMR investigation showed three hydridic resonances (ratio 1:2:1) at 153 K, in agreement with the C(s) symmetry of the solid state structure. At higher temperatures, two different degenerate exchange processes concerning the hydride ligands are operative. The first, frozen only below 153 K, equalizes the three hydrides bridging the edges of the basal triangle. The second, frozen below 188 K, exchanges all the hydrides, leading to a single hydride resonance at room temperature. Band shape analysis provided an estimate of the rate constants and of the activation parameters of the two processes: intrabasal exchange, E(a) = 30.4 +/- 1.3 kJ/mol, DELTAH(double dagger) = 29.0 +/- 1.3 kJ/mol, DELTAS(double dagger) = -8.1 +/- 7.5 J/K mol; overall scrambling, E(a) = 42.7 +/- 0.6 kJ/mol, DELTAH(double dagger) 40.7 +/- 0.6 kJ/mol, DELTAS(double dagger) = -16.6 +/- 2.6 J/K mol.

  DOI：

  10.1016/0022-328x(92)83493-2
• 作为产物：
  描述：

  trisodium tetracarbonylrhenate(3-) 、 氯化四苯砷 在 水 作用下， 以 六甲基磷酰三胺 、 水 为溶剂， 以80%的产率得到tetraphenylarsonium cis-dihydridotetracarbonylrhenate
  参考文献：
  名称：

  Highly reduced organometallics. Part 25. Reactions of trisodium tetracarbonylmetalates(3-) of manganese and rhenium with Broensted acids and other electrophiles. Synthesis of H2M(CO)4- (M = Mn and Re), (CH3)2Re(CO)4-, the first dialkyl derivative of a carbonylmetalate trianion, and related anionic species

  摘要：

  DOI：

  10.1021/ja00188a029