| 73146-59-5

• CAS: 73146-59-5
• 化学式: C₁₂H₃₆Cl₆P₄W₂
• 分子量: 884.731
• InChiKey: ZTVACZCWEBJLBR-UHFFFAOYSA-H

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：

  二氯甲烷 、 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Two New Ditungsten Species Containing Chloride and Trimethylphosphine Ligands

  摘要：

  The action of PhI . Cl-2 on W2Cl4(PMe(3))(4) in 1:1 mole ratio gives brown 1,3,6-W2Cl5(PMe(3))(3). The EPR at 10 K in frozen CH2Cl2 solution has a broad signal at g 1.83. The molecular structure was determined by X-ray crystallography and shows a W-W distance of 2.291(1) Angstrom, about 0.03 Angstrom longer than that in W2Cl4(PMe(3))(4). Crystal data: monoclinic space group C2/c with cell dimensions of a 13.423(2) Angstrom, b = 12.0768(9) Angstrom, c 28.247(5) Angstrom, beta = 93.360(7)degrees, V = 457,1(1) Angstrom(3), and Z = 8. There is a 1.8% orientational disorder. When a solution of W2Cl6(PMe(3))4 in CH2Cl2 plus hexanes was allowed to stand at -15 degrees C for several months, brown crystals of [HPMe(3)](2)[W2Cl8(PMe(3))]. CH2Cl2 were obtained. The anion is a face-sharing bioctahedron, with a W-W bond length of 2.433(1) Angstrom. Crystal data: monoclinic space group P2(1)/m with cell dimensions of a 9.398(1) Angstrom, b = 9.836(2) Angstrom, c 16.687(5) Angstrom, beta = 97.78(2)degrees, V = 1528.4(6) Angstrom(3), and Z = 2.

  DOI：

  10.1021/ic00118a031
• 作为产物：
  描述：

  trans-W2Cl2(NHC(CH3)3)2(P(CH3)3)2 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Two New Ditungsten Species Containing Chloride and Trimethylphosphine Ligands

  摘要：

  The action of PhI . Cl-2 on W2Cl4(PMe(3))(4) in 1:1 mole ratio gives brown 1,3,6-W2Cl5(PMe(3))(3). The EPR at 10 K in frozen CH2Cl2 solution has a broad signal at g 1.83. The molecular structure was determined by X-ray crystallography and shows a W-W distance of 2.291(1) Angstrom, about 0.03 Angstrom longer than that in W2Cl4(PMe(3))(4). Crystal data: monoclinic space group C2/c with cell dimensions of a 13.423(2) Angstrom, b = 12.0768(9) Angstrom, c 28.247(5) Angstrom, beta = 93.360(7)degrees, V = 457,1(1) Angstrom(3), and Z = 8. There is a 1.8% orientational disorder. When a solution of W2Cl6(PMe(3))4 in CH2Cl2 plus hexanes was allowed to stand at -15 degrees C for several months, brown crystals of [HPMe(3)](2)[W2Cl8(PMe(3))]. CH2Cl2 were obtained. The anion is a face-sharing bioctahedron, with a W-W bond length of 2.433(1) Angstrom. Crystal data: monoclinic space group P2(1)/m with cell dimensions of a 9.398(1) Angstrom, b = 9.836(2) Angstrom, c 16.687(5) Angstrom, beta = 97.78(2)degrees, V = 1528.4(6) Angstrom(3), and Z = 2.

  DOI：

  10.1021/ic00118a031