di-μ-iodo-tetrakis(trimethylphosphine)dicopper(I) | 169622-38-2

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: di-μ-iodo-tetrakis(trimethylphosphine)dicopper(I)
• 英文别名: iodocopper;trimethylphosphane
• CAS: 169622-38-2
• 化学式: C₁₂H₃₆Cu₂I₂P₄
• 分子量: 685.214
• InChiKey: NJABVPPAESQTNO-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  copper(l) iodide 、 三甲基膦 以 苯 为溶剂， 以63%的产率得到di-μ-iodo-tetrakis(trimethylphosphine)dicopper(I)
  参考文献：
  名称：

  Structural and vibrational spectroscopic studies of complexes of trimethylphosphine with copper(I) and silver(I) halides

  摘要：

  New copper(I) halide-trimethylphosphine adducts were prepared by reaction of CuX with PMe(3) in benzene suspension, and characterized by room-temperature single-crystal X-ray studies and vibrational spectroscopy. [(Me(3)P)(2)Cu(mu-I)(2)Cu(PMe(3))(2)]. monoclinic, space group P2(1)/c, a = 9.296(2), b =16.206(7), c = 9.577(3) Angstrom, beta = 113.76(2)degrees, Z = 2 dimers, conventional R on \F\ 0.040 for 1369 'observed' [I > 3 sigma(I)] reflections at convergence; [{Cu4Cl4(PMe(3))(3)}(infinity)], rhombohedral, space group R3c, a = 17.776(2), c = 11.708(7) Angstrom (hexagonal setting), Z = 6, R = 0.045 for 820 observed reflections. The latter is a novel one-dimensional polymer of quasi-cubanoid Cu4Cl4 units disposed with their body diagonals coincident with the crystallographic 3-axis and linked by Cu-Cl bonds between the four-co-ordinate apical atoms of successive Cu4Cl4 units. Unlike the related [{Cu4I4(NEt(3))(3)}(infinity)] polymer, however, the off-axis copper atoms are planar three- rather than four-coordinate, having (mu-Cl)(2)CuP environments. The far-IR and Raman spectra of the compounds. and of the 1:1 Agl-PMe(3) complex with the proposed tetrameric 'cubane' structure [Ag4I4(PMe(3))(4)], have been recorded and assigned. The frequencies and activities of the nu(MX) modes correlate well with the observed or proposed structures, and a comparison of the Raman spectra for the series of three compounds allows the first rational assignment of nu(MP) modes for multinuclear complexes of this type.

  DOI：

  10.1039/dt9950003063