trans-[Pt(C6F5)(C.tplbond.C-t-Bu)(PPh2H)2] | 233672-69-0

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物 - 醌二甲烷类
• 英文名称: trans-[Pt(C6F5)(C.tplbond.C-t-Bu)(PPh2H)2]
• 英文别名: 3,3-dimethylbut-1-yne;diphenylphosphane;1,2,3,4,5-pentafluorobenzene-6-ide;platinum(2+)
• CAS: 233672-69-0
• 化学式: C₃₆H₃₁F₅P₂Pt
• 分子量: 815.662
• InChiKey: NGSVGCZRWHYFKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.43
• 重原子数：
  44
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  acethylacetonato(1,5-cyclooctadiene)rhodium(I) 、 trans-[Pt(C6F5)(C.tplbond.C-t-Bu)(PPh2H)2] 以 丙酮 为溶剂， 以65%的产率得到trans,cis-[(C6F50PPh2H)Pt(μ-κC(α):η(2)-C.tplbond.C-t-Bu)(μ-PPh2)RhCOD]
  参考文献：
  名称：

  Synthesis of Heterobridged (μ-C⋮CR)(μ-X) (X = PPh₂, PPh₂O) Platinum−Rhodium or Platinum−Iridium Dimers

  摘要：

  The synthesis and full characterization of a series of heterobimetallic mixed-bridge alkynyl/phosphido platinum-rhodium and alkynyl/phosphinite platinum-rhodium and platinum-iridium complexes is presented. Treatment of trans-[Pt(C6F5)(C=CR)(PPh2H)(2)] [2; R = t-Bu (a), Ph (b)] [generated through the rupture of the homobridged trans,sym-[Pt(mu-kappa C-alpha:eta(2)-C=CR)(C6F5)(PPh2H)](2) (1) with PPh2H] or cis-[Pt(C=CR)(2)(PPh2H)(2)] with rhodium acetylacetonate species [Rh(acac)L-2] (L-2 = COD, 2CO) in acetone produces the corresponding alkynyl/diphenylphosphido-bridged complexes trans,cis-[(C6F5)(PPh2H)Pt(mu-kappa C-alpha:eta(2)-C=CR)(mu-PPh2)RhL2] [L-2 = COD (3), 2CO (4a)] and cis,cis-[(C=CR)(PPh2H)Pt(mu-kappa C-alpha:eta(2)-C=CR)(mu-PPh2)RhL2] [L-2 = COD (5), 2CO (6a)]. The related mixed alkynyl/phosphinite complexes [{(PPh2O)(2)H}Pt(mu-kappa C-alpha:eta(2)-C=CR)(mu-kappa P,kappa O-PPh2O)ML2] [ML2 = RhCOD (7), Rh(CO)(2) (8), IrCOD (9)] can be prepared by reacting [Pt(C=CR){(PPh2O)(2)H}(PPh2OH)] with [M(acac)L-2] (M = Rh, Ir). The molecular structure of 6a, determined by X-ray diffraction, shows that the alkynyl ligand is sigma-bonded to platinum and eta(2)-bonded to the rhodium center with a platinum-rhodium distance of 3.142(1) Angstrom. Complex 6a (C38H39O2P2PtRh) crystallizes in the triclinic system, space group P (1) over bar: a = 11.427(2) Angstrom, b = 12.882(2) Angstrom, c = 14.692(2) Angstrom, alpha = 99.098(14)degrees, beta = 108.339(12)degrees, gamma = 113.11(2)degrees, V = 1787.2(4) Angstrom(3), and Z = 2.

  DOI：

  10.1021/ic9900049
• 作为产物：
  描述：

  trans,sym-[Pt(μ-κC(α):η(2)-C.tplbond.C-t-Bu)(C6F5)(PPh2H)]2 、 二苯基膦 以 二氯甲烷 为溶剂， 以87%的产率得到trans-[Pt(C6F5)(C.tplbond.C-t-Bu)(PPh2H)2]
  参考文献：
  名称：

  Synthesis of Heterobridged (μ-C⋮CR)(μ-X) (X = PPh₂, PPh₂O) Platinum−Rhodium or Platinum−Iridium Dimers

  摘要：

  The synthesis and full characterization of a series of heterobimetallic mixed-bridge alkynyl/phosphido platinum-rhodium and alkynyl/phosphinite platinum-rhodium and platinum-iridium complexes is presented. Treatment of trans-[Pt(C6F5)(C=CR)(PPh2H)(2)] [2; R = t-Bu (a), Ph (b)] [generated through the rupture of the homobridged trans,sym-[Pt(mu-kappa C-alpha:eta(2)-C=CR)(C6F5)(PPh2H)](2) (1) with PPh2H] or cis-[Pt(C=CR)(2)(PPh2H)(2)] with rhodium acetylacetonate species [Rh(acac)L-2] (L-2 = COD, 2CO) in acetone produces the corresponding alkynyl/diphenylphosphido-bridged complexes trans,cis-[(C6F5)(PPh2H)Pt(mu-kappa C-alpha:eta(2)-C=CR)(mu-PPh2)RhL2] [L-2 = COD (3), 2CO (4a)] and cis,cis-[(C=CR)(PPh2H)Pt(mu-kappa C-alpha:eta(2)-C=CR)(mu-PPh2)RhL2] [L-2 = COD (5), 2CO (6a)]. The related mixed alkynyl/phosphinite complexes [{(PPh2O)(2)H}Pt(mu-kappa C-alpha:eta(2)-C=CR)(mu-kappa P,kappa O-PPh2O)ML2] [ML2 = RhCOD (7), Rh(CO)(2) (8), IrCOD (9)] can be prepared by reacting [Pt(C=CR){(PPh2O)(2)H}(PPh2OH)] with [M(acac)L-2] (M = Rh, Ir). The molecular structure of 6a, determined by X-ray diffraction, shows that the alkynyl ligand is sigma-bonded to platinum and eta(2)-bonded to the rhodium center with a platinum-rhodium distance of 3.142(1) Angstrom. Complex 6a (C38H39O2P2PtRh) crystallizes in the triclinic system, space group P (1) over bar: a = 11.427(2) Angstrom, b = 12.882(2) Angstrom, c = 14.692(2) Angstrom, alpha = 99.098(14)degrees, beta = 108.339(12)degrees, gamma = 113.11(2)degrees, V = 1787.2(4) Angstrom(3), and Z = 2.

  DOI：

  10.1021/ic9900049