{tungsten(diiodo)(carbonyl)(acetonitrile)(η2-(1-phenyl-1-propyne))2} | 111187-49-6

• 英文名称: {tungsten(diiodo)(carbonyl)(acetonitrile)(η2-(1-phenyl-1-propyne))2}
• 英文别名: (WI2(CO)(NCMe)(η(2)-MeC2Ph)2)；WI2(CO)(NCMe)(η(2)-MeC2Ph)2
• CAS: 111187-49-6；352004-43-4；106151-42-2；352004-73-0
• 化学式: C₂₁H₁₉I₂NOW
• 分子量: 739.047
• InChiKey: BDVFEMAHXWMNPV-UHFFFAOYSA-L

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：

  {tungsten(diiodo)(carbonyl)(acetonitrile)(η2-(1-phenyl-1-propyne))2} 、 双二苯基膦甲烷 以 二氯甲烷 为溶剂， 以87%的产率得到WI2(CO)(dppm)(η(2)-MeC2Ph) * CH2Cl2
  参考文献：
  名称：

  The synthesis, molecular structure and fluxional properties of the 1-phenylpropyne complex [WI2(CO){Ph2P(CH2)PPh2}(η2-MeC2Ph)]

  摘要：

  Reaction of [WI2(CO)(NCMe) (eta(2)-MeC2Ph)(2)] with a slight excess of Ph2P(CH2)PPh2 gives the mono(1-phenylpropyne) complex [WI2(CO) {Ph2P(CH2)PPh2} (eta(2)-MeC2Ph)] (1) in high yield. The structure of 1 has been determined by single crystal X-ray diffraction. The structure can best be described as a distorted octahedron with the two phosphorus atoms of the Ph2P(CH2) PPh2 ligand trans to an iodo- and a 1-phenylpropyne ligand in the equatorial plane and the other iodo and carbonyl groups in the axial sites. The two bond lengths of the two W-I and those of the two W-P bonds are quite different reflecting the nature of the trans-ligands. Variable temperature P-31 NMR studies have been carried out on 1, which has enabled the activation energy for alkyne rotation, to be calculated. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(98)00040-1
• 作为产物：
  描述：

  1-苯基-1-丙炔 、 {tungsten(diiodo)(carbonyl)3(acetonitrile)2} 以 二氯甲烷 为溶剂， 以77%的产率得到{tungsten(diiodo)(carbonyl)(acetonitrile)(η2-(1-phenyl-1-propyne))2}
  参考文献：
  名称：

  Bis(1-phenyl-1-propyne) comple×es of tungsten(II): crystal structures of [WI₂(CO)(NCR)(η²-MeC₂Ph)₂] (R = Me, Et, or Ph)

  摘要：

  Reaction of [WI2(CO)(3)(NCMe)(2)] with two equivalents of 1-phenyl-1-propyne (MeC2Ph) in CH2Cl2, and in the absence of light, gave the bis(1-phenyl-1-propyne) complex [WI2(CO)(NCMe)(eta (2)-MeC2Ph)(2)] (1) in 77% yield. Treatment of equimolar quantities of 1 and NCR (R = Et, i-Pr, t-Bu, Ph) in CH2Cl2 afforded the nitrile-exchanged products, [WI2(CO)(NCR)(eta (2)-MeC2Ph)(2)] (2-5) (R = Et (2), i-Pr (3), t-Bu (4), Ph (5)). Complexes 1, 2, and 5 were structurally characterized by X-ray crystallography. All three structures have the same pseudo-octahedral geometry, with the equatorial sites being occupied by cis and parallel alkyne groups, which are trans to the cis-iodo groups. The trans carbon monoxide and acetonitrile ligands occupy the axial sites. In structures 1 and 2, the methyl and phenyl substituents of the 1-phenyl-1-propyne ligands are cis to each other, whereas for the bulkier NCPh complex (5), the methyl and phenyl groups are trans to one another. This is the first time that this arrangement has been observed in the solid state in bis(alkyne) complexes of this type.

  DOI：

  10.1139/cjc-79-3-263

文献信息

• Multimetallic complexes of molybdenum(<scp>II</scp>) and tungsten(<scp>II</scp>) derived from [WI₂(CO){PhP(CH₂CH₂PPh₂)₂-P,P′}(η²-RC₂R)](R = Me or Ph). Crystal structures of [WI₂(CO){PhP(CH₂CH₂PPh₂)₂-P,P′}(η²-MeC₂R)](R = Me or Ph)
  作者：Paul K. Baker、Simon J. Coles、David E. Hibbs、Margaret M. Meehan、Michael B. Hursthouse

  DOI：10.1039/dt9960003995

  日期：——

  Ph) as monodentate phosphine ligands with the molybdenum(II) and tungsten(II) complexes [MI2(CO)3(NCMe)2], [MI2(CO)3(NCMe)L′](L′= PPh3, AsPh3 or SbPh3), [MoCl(GeCl3)(CO)2(NCMe)2(PPh3)] and [WI2(CO)(NCMe)(η2-RC2R)2](R = Me or Ph) were found to give a range of bi- and tri-metallic complexes which have all been characterised.

  的[WI等摩尔量2（CO）（NCMe）（η 2 -RC 2 'R）2（; R = Me中，R'=苯基= Me或P h和PHP（CH R = R）]' 2 CH 2 PPH 2）2（L）反应在CH 2氯2在室温下，得到单（炔）配合物[WI 2（CO）（L- P，P '）（η 2 -RC 2 R'）]以高收率。的[WI的分子结构2（CO）（L- P，P '）（η 2 -MeC 2R）]（R = Me或Ph）已通过晶体学测定。在不对称单元中有两个独立的分子是非对映异构体。关于在金属原子的配合模式[WI 2（CO）（L- P，P '）（η 2 -MeC 2 Me）的]·0.75CH 2氯2 1是一个畸变八面体与两个相邻的磷原子在赤道平面上的三膦，羰基和碘配体以及碘和丁-2-炔配体占据轴向位点。络合物[WI 2（CO）（L- P，P '）（η 2 -MeC 2PH）]也是畸变八面体，具有相同的协调到
• Synthesis, molecular structures, fluxional properties and catalytic activity of a series of alkyne complexes of molybdenum(II) and tungsten(II) containing phosphite donor ligands
  作者：Paul K. Baker、Michael G. B. Drew、Deborah S. Evans、Archie W. Johans、Margaret M. Meehan

  DOI：10.1039/a902224d

  日期：——

  the crystallographically characterised complexes [MoI2(CO)(NCMe)P(OPh)3}(η2-R′C2R″)] (R′ = R″ = Me or Ph; R′ = Me, R″ = Ph) which have five different ligands attached in a pseudo-octahedral arrangement. Reaction of [MI2(CO)(NCMe)(η2-R′C2R″)2] with two equivalents of P(OR)3 in diethyl ether at room temperature gave high yields of the bis(phosphite) complexes [MI2(CO)P(OR)3}2(η2-R′C2R″)] R = Ph, R′ = Me

  的治疗[内政部2（CO）（NCMe）（η 2 -R'C 2 R“）2 ]与一当量P（OPH）的3在得到晶体学表征配合物[内政部室温乙醚2（CO） （NCMe）P（OPH）3 }（η 2 -R'C 2 R“）（R'= R”= Me或Ph值; R'= Me中，R“=苯基），其具有连接在五个不同的配体伪八面体排列。的[MI反应2（CO）（NCMe）（η 2 -R'C 2 R“）2 ]与P（OR）的两个当量3在室温下在乙醚中，得到双（亚磷酸酯）络合物的高收率[ MI2（CO）P（OR） 3 } 2（η 2 -R'C 2 R“）] R =苯基，R'= Me中，R”=苯基（M =钼只）; M ＝ Mo或W，R ＝ Me，R′＝ R″ ＝ Me或Ph（仅M ＝ Mo），R′＝ Me，R″ ＝ Ph（仅M ＝ W）；R′＝ Me，R″ ＝ Ph（仅M ＝ W）；R ＝ Et，R′＝ R″ ＝ Me或Ph（仅M
• Armstrong, Elaine M.; Baker, Paul K.; Drew, Michael G. B., Organometallics, 1988, vol. 7, # 2, p. 319 - 325
  作者：Armstrong, Elaine M.、Baker, Paul K.、Drew, Michael G. B.

  DOI：——

  日期：——