Dichlorotungsten;dimethyl(phenyl)phosphane | 39049-86-0

• 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: Dichlorotungsten;dimethyl(phenyl)phosphane
• CAS: 39049-86-0
• 化学式: C₃₂H₄₄Cl₂P₄W
• 分子量: 807.352
• InChiKey: BPXMWOORHYYXPZ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  9.59
• 重原子数：
  39
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  Dichlorotungsten;dimethyl(phenyl)phosphane 、 lithium iodide 以 甲苯 为溶剂， 以92%的产率得到
  参考文献：
  名称：

  Low Temperature Multinuclear NMR Study of the Mechanism of Protonation of W(H)2Cl2(PMe2Ph)4

  摘要：

  Protonation (CF3SO3H) of WH(2)Cl(2)L(4) (L = PMe(2)Ph) below -70 degrees C in CD2Cl2 gives A as the kinetic product. This shows two hydride signals at -85 degrees C, and inequivalent (A(2)M(2)) P-31 nuclei. By -70 degrees C, the kinetic product converts completely to the thermodynamic product W-VI(H)(3)Cl(2)L(4)(+), B, which has fluxional hydrides but inequivalent (A(2)M(2)) P-31 nuclei. The W-P coupling constants, the W/H T-1 value of B, and the green color of A support metal oxidation state IV for A and VI for B. By -30 degrees C, B reacts further to dissociate one phosphine, to produce stereochemically-rigid, C-3-symmetric W-VI(H)(3)Cl(2)L(3)(+), C Both the H-1 and P-31 NMR spectral patterns and the W-P coupling constant support the claimed oxidation state of W(VI) in C. Above 10 degrees C, C decomposes both in solution (CH2Cl2 or toluene) and also as a pure solid to a variety of uncharacterized products. Comparison to the result of protonation of W(H)(2)XYL(4) (XY = Br-2, I-2, CII, ClBr) support certain structural proposals for A-C and indicate how the diminished X-->W pi-donation by the heavier halides influences these oxidative and phosphine dissociation processes.

  DOI：

  10.1021/ic00115a017
• 作为产物：
  描述：

  WCl4(PMe2Ph)2 、 二甲基苯基磷 在 sodium amalgam 作用下， 以 四氢呋喃 为溶剂， 以44%的产率得到Dichlorotungsten;dimethyl(phenyl)phosphane
  参考文献：
  名称：

  WCl 2 L 4（L ＝膦）的反应。1.一类新型的钨（II）乙烯络合物

  摘要：

  DOI：

  10.1021/om00086a013

文献信息

• Rothfuss, Helmut; Barry, Jane T.; Huffman, John C., Inorganic Chemistry, 1993, vol. 32, # 21, p. 4573 - 4577
  作者：Rothfuss, Helmut、Barry, Jane T.、Huffman, John C.、Caulton, Kenneth G.、Chisholm, Malcolm H.

  DOI：——

  日期：——
• A chain copolymer from WCl2(PMe2Ph)4 and [TlOCH2CF3]4
  作者：Helmut Rothfuss、Kirsten Folting、Kenneth G. Caulton

  DOI：10.1016/s0020-1693(00)92322-3

  日期：1993.10

  A combination Of WCl2(PMePb)4 and [TlOCHCF3]4 crystallize from hexane solution as a 1:1 material whose structure shows it to be an alternating chain copolymer. The link between the W- and Tl-containing monomers is composed of weak Tl/Cl interactions between otherwise not significantly distorted trans-WCl2P4 octahedra and Tl4O4 cubes. The compound crystallizes as two distinct polymorphs, which differ in the Tl/Cl bond lengths and also the conformation of the phenyl substituents in the W(PMe2Ph)4 substructure. Electronic spectral data support the idea that a Tl/W adduct persists in hexane solution, and it is suggested that the binding force in both solid and solution is a weak charge transfer complexation.