IrCl3(PPh2Me)3 | 55222-28-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: IrCl3(PPh2Me)3
• 英文别名: methyl(diphenyl)phosphane;trichloroiridium
• CAS: 55222-28-1
• 化学式: C₃₉H₃₉Cl₃IrP₃
• 分子量: 899.239
• InChiKey: CBGOCVOVLSJARS-UHFFFAOYSA-K

计算性质

• 辛醇/水分配系数(LogP)：
  10.31
• 重原子数：
  46.0
• 可旋转键数：
  9.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  IrCl3(PPh2Me)3 、 lithium aluminium tetrahydride 在 i-PrOH 作用下， 以 四氢呋喃 为溶剂， 生成 fac-IrH3(PPh2Me)3*MeOH
  参考文献：
  名称：

  Neutron diffraction study of fac-[IrH₃(PPh₂Me)₃]·MeOH

  摘要：

  The structure of the methanol solvate of the facial isomer of [IrH3(PPh2Me)3] has been analysed by neutron diffraction. Data were obtained at 55 +/- 0.1 K using a single crystal of volume 17.6 mm3 and the structure refined to final agreement factors of R(F2) = 0.053 and R'(F2) = 0.064 for 1615 reflections. The Ir atom is situated on a three-fold rotation axis. Distances and angles correspond well to those expected for a complex with normal terminal H atoms: Ir-H 1.627(4). Ir-P 2.314(2) angstrom; H-Ir-H 83.4(2), P-Ir-P 98.6(l), and H-Ir-P 88.5(2). 169.1 (2)-degrees. As expected, the overall geometry of the complex is distorted octahedral, with the hydrogen ligands compressed together by the steric bulk of the phosphines, as evidenced by the H-Ir-H (< 90-degrees) and P-Ir-P (> 90-degrees) angles. The compound crystallizes in the rhombohedral space group R3, with a = 10.367(1) angstrom and alpha = 108.19(6)-degrees at T = 55 +/- 0.1 K.

  DOI：

  10.1039/dt9930003359
• 作为产物：
  描述：

  sodium hexachloroiridate 、 二苯基甲氧基膦 在 盐酸 作用下， 以 乙醇 为溶剂， 生成 IrCl3(PPh2Me)3
  参考文献：
  名称：

  [RuCl2（PR3）3]（R = Ph，对甲苯基）与一些Rh（III），Ir（III）和Pt（IV）叔膦配合物的相互作用

  摘要：

  摘要研究了RuCl 2（PR 3）3 [PR 3 = PPh 3或P（对甲苯基）3]与铑（III），铱（III）和铂（IV）的几种单体膦配合物的反应。与mer -MCl 3（P'R 3）3（M = Rh，P'R 3 = PEt 2 Ph，PMe 2 Ph，PMe 2 Ph; M = Ir，P'R 3 = PBuPh 2，PMePh 2的反应，PEt 2 Ph）涉及在金属原子之间的膦配体转移，以提供含有三氯桥的新型深色杂双金属配合物。RuCl 2（PR 3）3与PtCl 4（P'R 3）2（P'R 3 = PEt 2 Ph，PBu 2 Ph）的反应，但是，没有提供形成含（ RuCl 3 Pt）单元，但随着膦配体在两种金属之间的转移，Pt IV还原为Pt II。这些配合物的配方已通过31 P NMR光谱确定。

  DOI：

  10.1016/s0020-1693(00)85216-0

文献信息

• Complexes of 2-diphenylphosphinobenzenethiol and 2-diphenylphosphino-6-trimethylsilylbenzenethiol with rhodium and iridium. Crystal and molecular structures of [IrCl₂(Ph₂PC₆H₄S)(PMePh₂)₂] and [Ir(Ph₂PC₆H₄S)₃]·0.75CH₂Cl₂
  作者：Jonathan R. Dilworth、Canzhong Lu、John R. Miller、Yifan Zheng

  DOI：10.1039/dt9950001957

  日期：——

  isomers in solution with mer and fac P donors. However, with the sterically demanding 2-Ph2P(6-Me3Si)C6H3SH the complexes [MPh2-P(Me3Si)C6H3S}3](M = Rh or Ir) were generated. Their 31P NMR spectra indicate that these are single species with different structures from those of the Ph2PC6H4S complexes. The reaction between [IrCl(CO)(PPh3)2] and the two thiols (HL) yielded the hydride complexes [IrH(CO)L2] the

  [IrCl 3（PMePh 2）3 ]与2-二苯基膦基苯硫醇盐在甲醇中的反应仅产生[IrCl 2（Ph 2 PC 6 H 4 S）（PMePh 2）2 ] 1，而与IrCl 3' [Ir（Ph 2形成PC 6 H 4 S）3 ] 2。已经确定了1和2的晶体结构。他们用mer揭示了关于Ir的八面体几何在这两种情况下，P捐助者的安排。使用[RhCl（PPh 3）3 ]作为前体的类似反应产生了类似的铑络合物，该铑络合物以异构体的混合物形式存在，并带有mer和fac P供体。然而，在空间上要求2-Ph 2 P（6-Me 3 Si）C 6 H 3 SH的配合物[M Ph 2 -P（Me 3 Si）C 6 H 3 S} 3 ]（M = Rh或Ir）产生。它们的31 P NMR光谱表明，这些是具有不同于Ph 2 PC 6结构的单一物种。H 4 S配合物。[IrCl（CO）（PPh 3）2 ]和两种硫醇
• Complexes of potentially tri- and tetra-dentate phosphinothiol ligands with Mo, W, Re, Fe, Ru, Os, Rh, Ir and Ni
  作者：Jonathan R. Dilworth、Anthony J. Hutson、Jason S. Lewis、John R. Miller、Yifan Zheng、Qin Chen、Jon Zubieta

  DOI：10.1039/dt9960001093

  日期：——

  tetradentate ligand P(C6H4SH-2)3(H3L3) reacted with precursors containing Ru, Os and Rh to give [M(HL3)2]–(M = Ru, Os or Rh) where each HL3 ligand is ligated via P and 2S with one unco-ordinated thiol group. These complexes were oxidised in air to give [M(L32)]n+(M = Ru or Os, n= 0; M = Rh, n= 1) where L32 is a hexadentate ligand formed by the coupling of two L3 through two disulfide bonds.

  硫代膦酸酯配体PPh（C 6 H 4 SH-2）2（H 2 L 2）与多种前体反应生成配合物[ML 2 2 ] n –（M = Mo，W或Re，n = 0； M ＝ Fe，Ru，Os，Rh或Ir，n＝ 1）。M ＝ Re的配合物的晶体结构显示出扭曲的八面体几何形状，L 2配体在表面上协调。其他前体产生的配合物[ML 2 2 X] n –（X = Cl，M = Re，n = 0； X = NO，M = Mo，n = 1； M = Ru，n= 0; X = NR，M = Re，n = 1；X = NNMePh，M = Mo，n = 0; M ＝ Ru，n＝ 1）。讨论了这些七坐标复合物的几何形状。金属（0）配合物[M（CO）3（MeCN）3 ]（M = Mo或W）与[NMe 4 ] 2 [L 2 ]反应，得到橙色[NMe 4 ] 2 [ML 2（CO）3 ]的晶体结构（M = Mo）显示出近八面体的几何形状，其面坐标为L
• Synthesis of complexes of Re V , Ru II , Os II , Rh I , Ir I and Ir III . Crystal and molecular structures of [ReO(OH)(SC6H4 SiPh3-2)2(PPh3)], [ReH4(SC6H4SiPh3-2)(PPh3)3] and [IrH(SC6H4SiPh3-2)2(PMePh2)3]
  作者：Mustafa T. Ahmet、Canzhong Lu、Jonathan R. Dilworth、John R. Miller、Yifan Zheng、David E. Hibbs、Michael B. Hursthouse、K. M. Abdul Malik

  DOI：10.1039/dt9950003143

  日期：——

  pseudo-octahedral with mer phosphine ligands and cis thiolates, and the hydride presumed to be in a vacant site trans to a thiolate ligand. The complex [IrCl(CO)(PPh3)2] reacted under similar conditions to give monomeric [Ir(SC6H4SiPh3-2)(CO)(PPh3)2]6 whereas [RhCl(CO)(PPh3)2] gave [Rh2(µ-SC6H4SiPh3-2)2(CO)2(PPh3)2]5; [OsH(Cl)(PPh3)3] gave [OsH(SC6H4SiPh3-2)(CO)(PPh3)3]7 whereas [RuH(Cl)(PPh3)2] formed [Ru(SC6H4S

  在碱的存在下，（（V）前体[ReOX 3（PPh 3）2 ]（X = Cl或Br）与2-三苯基甲硅烷基苯硫醇在甲醇中反应，得到[ReO（Cl）（SC 6 H 4 SiPh 3 -2） ）2（PPh 3）] 1和[ReO（OH）（SC 6 H 4 SiPh 3 -2）2（PPh 3）] 2。在NaBH 4和无碱存在下，蓝色硫醇盐多氢化物[ReH 4（SC 6 H 4 SiPh 3-2）（PPh 3）3 ] 3以高收率形成。确定了2和3的晶体结构，结果显示2为单体，具有扭曲的三角双锥体几何形状以及赤道位点的氧化物和氢氧化物配体。的硫醇盐和膦配位体3分别与氢化物配位体四面体阵列假定为在封盖上的四面体面位点。在NEt 3存在下，硫醇与[IrCl 3（PMePh 2）3 ]在甲醇中反应，得到[IrH（SC 6 H 4 SiPh 3 -2）2（PMePh 2） 3 ] 4的产率很高。其晶体结构揭示了几
• An osmium(II) complex of a novel hexadentate diphosphinobis(disulfide) macrocyclic ligand with pendant thiolate groups
  作者：Jonathan R. Dilworth、Yifan Zheng、John R. Miller

  DOI：10.1039/dt9920001757

  日期：——

  The complex [OsCl2(PPh3)3] reacts with P(C6H4SH-2)3 to give the neutral osmium(II) complex [OsL], where L has been confirmed by an X-ray crystal structure determination to be a hexadentate ligand formed by the oxidative coupling of two P(C6H4S-2)3 ligands via two disulfide bonds.