| 851591-29-2

• CAS: 851591-29-2
• 化学式: C₄₅H₄₁P₂Rh
• 分子量: 746.674
• InChiKey: DBFCCHJLKPXKGO-GHDUESPLSA-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：

  、 三甲基膦 以 not given 为溶剂， 以85%的产率得到[diphenyl(phenyl)-λ5-phosphanylidene]methylidene-diphenyl-phenyl-λ5-phosphane;rhodium(2+) monohydride;trimethylphosphane
  参考文献：
  名称：

  Chelate and Pincer Carbene Complexes of Rhodium and Platinum Derived from Hexaphenylcarbodiphosphorane, Ph₃PCPPh₃

  摘要：

  The reaction of [(cod)RhCl]2 with Ph3P=C=PPh3 (1) gave the bidentate Rh(I) carbene complex, (cod)Rh[eta2-C{P(C6H4)Ph2}{PPh3}] (2), in which one of the Ph groups in 1 underwent orthometalation to form the chelate. Displacement of cod by 2 equiv of PMe3 transformed 2, via a second orthometalation event, into the Rh(III) C,C,C pincer carbene complex, HRh(PMe3)2[eta3-C{P(C6H4)Ph2}2] (3). The reaction of [Me2Pt(SMe2)]2 with 1 led directly to the analogous C,C,C pincer carbene complex of Pt(II), (Me2S)Pt[eta3-C{P(C6H4)Ph2}2] (4). DFT calculations on a model form of 3 suggest a net single sigma-bonding interaction between Rh and an sp2-hybridized carbene center, with a HOMO that is predominantly carbene pz in character.

  DOI：

  10.1021/ja0502831
• 作为产物：
  描述：

  hexaphenylcarbodiphosphorane 、 chloro(1,5-cyclooctadiene)rhodium(I) dimer 以 not given 为溶剂， 以78%的产率得到
  参考文献：
  名称：

  Chelate and Pincer Carbene Complexes of Rhodium and Platinum Derived from Hexaphenylcarbodiphosphorane, Ph₃PCPPh₃

  摘要：

  The reaction of [(cod)RhCl]2 with Ph3P=C=PPh3 (1) gave the bidentate Rh(I) carbene complex, (cod)Rh[eta2-C{P(C6H4)Ph2}{PPh3}] (2), in which one of the Ph groups in 1 underwent orthometalation to form the chelate. Displacement of cod by 2 equiv of PMe3 transformed 2, via a second orthometalation event, into the Rh(III) C,C,C pincer carbene complex, HRh(PMe3)2[eta3-C{P(C6H4)Ph2}2] (3). The reaction of [Me2Pt(SMe2)]2 with 1 led directly to the analogous C,C,C pincer carbene complex of Pt(II), (Me2S)Pt[eta3-C{P(C6H4)Ph2}2] (4). DFT calculations on a model form of 3 suggest a net single sigma-bonding interaction between Rh and an sp2-hybridized carbene center, with a HOMO that is predominantly carbene pz in character.

  DOI：

  10.1021/ja0502831