cis-[Cp(*)Ir(dmpm)H2](2+) | 740805-70-3

• 英文名称: cis-[Cp(*)Ir(dmpm)H2](2+)
• 英文别名: [Ir(C5Me5)(dmpm)H2](2+)；[Ir(C5Me5)(bis(dimethylphosphino)methane)H2](2+)
• CAS: 740805-70-3
• 化学式: C₁₅H₃₁IrP₂
• 分子量: 465.579
• InChiKey: UIWSZFQESLZOPI-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：

  cis-[Cp(*)Ir(dmpm)H2](2+) 、 [Cp(*)Ir(dmpm)H2](2+) 、 氢化氘 以 not given 为溶剂， 生成 、
  参考文献：
  名称：

  An Elongated Dihydrogen Complex of Iridium

  摘要：

  Reaction of [Cp*Ir(dmpm)Cl]Cl with [Et3Si]B(ArF)4 (dmpm = bisdimethyl-phosphinomethane; ArF = C6F5) under hydrogen gas affords the dicationic complex [Cp*Ir(dmpm)H2]2+ (1), which is readily deprotonated by weak bases to give [Cp*Ir(dmpm)H]+. Complex 1 exists as a mixture of two isomers (97:3). On the basis of the magnitude of 2JH-P couplings and T1 measurements, a cis-dihydride or dihydrogen complex structure is suggested for the predominant isomer 1-cis (2JH-P = 6 Hz), with the minor isomer assigned a transoid structure 1-trans (2JH-P = 20 Hz). When the preparative reaction is carried out with HD gas, the resonance in the 1H NMR spectrum assigned to 1-cis-d1 exhibits1JH-D = 9.0 Hz. The observed values of 1JH-D vary significantly with temperature, increasing from 7.0 Hz at 223K to 9.0 Hz at 300 K. The observed chemical shift of 1-cis-d1 also varies significantly with temperature. These observations are interpreted in terms of a dynamic equilibrium between a cis-dihydride and a dihydrogen complex.

  DOI：

  10.1021/ja035555j
• 作为产物：
  描述：

  triethylsilylium tetrakis(pentafluorophenyl)borate 、 [Cp(*)Ir(dmpm)Cl]Cl*2H2O 以 not given 为溶剂， 生成 [Cp(*)Ir(dmpm)H2](2+) 、 cis-[Cp(*)Ir(dmpm)H2](2+)
  参考文献：
  名称：

  An Elongated Dihydrogen Complex of Iridium

  摘要：

  Reaction of [Cp*Ir(dmpm)Cl]Cl with [Et3Si]B(ArF)4 (dmpm = bisdimethyl-phosphinomethane; ArF = C6F5) under hydrogen gas affords the dicationic complex [Cp*Ir(dmpm)H2]2+ (1), which is readily deprotonated by weak bases to give [Cp*Ir(dmpm)H]+. Complex 1 exists as a mixture of two isomers (97:3). On the basis of the magnitude of 2JH-P couplings and T1 measurements, a cis-dihydride or dihydrogen complex structure is suggested for the predominant isomer 1-cis (2JH-P = 6 Hz), with the minor isomer assigned a transoid structure 1-trans (2JH-P = 20 Hz). When the preparative reaction is carried out with HD gas, the resonance in the 1H NMR spectrum assigned to 1-cis-d1 exhibits1JH-D = 9.0 Hz. The observed values of 1JH-D vary significantly with temperature, increasing from 7.0 Hz at 223K to 9.0 Hz at 300 K. The observed chemical shift of 1-cis-d1 also varies significantly with temperature. These observations are interpreted in terms of a dynamic equilibrium between a cis-dihydride and a dihydrogen complex.

  DOI：

  10.1021/ja035555j