lithium;bis(diphenylphosphinothioyl)methyl-diphenyl-sulfanylidene-λ5-phosphane | 102615-41-8

• 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: lithium;bis(diphenylphosphinothioyl)methyl-diphenyl-sulfanylidene-λ5-phosphane
• CAS: 102615-41-8
• 化学式: C₃₇H₃₀P₃S₃*Li
• 分子量: 670.705
• InChiKey: KEQOIHJPLPNFQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.83
• 重原子数：
  44
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  96.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  bis(1,5-cyclooctadiene)diiridium(I) dichloride 、 lithium;bis(diphenylphosphinothioyl)methyl-diphenyl-sulfanylidene-λ5-phosphane 以 二氯甲烷 为溶剂， 以74%的产率得到η4-1,5-cyclooctadiene-η2-tris(diphenylthiophosphinoyl)methanidoiridium(I)
  参考文献：
  名称：

  Polydentate ligands containing phosphorus XV. The synthesis and structure of η4-1,5-cyclooctadiene-η2-tris(diphenylthiophosphinoyl)methanidoiridium(I), (COD)Ir(TrisS3)

  摘要：

  eta-4-1,5-Cyclooctadiene-eta-2-tris(diphenylthiophosphinoyl)methanidoiridium(I), (COD)Ir(TrisS3), was synthesized by the reaction of [(COD)IrCl]2 with lithium tris(diphenylthiophosphinoyl)methanide, Li{[Ph2P(S)]3C}, in methylene chloride. A crystallographic structural determination was carried out on a yellow crystal in the monoclinic system of space group P2(1)/n. The unit cell dimensions are a = 10.826(3), b = 21.659(6), c = 17.487(5) angstrom, beta = 100.23(2)-degrees and Z = 4. The coordination about iridium is square planar with the TrisS3- ligand showing bidentate behavior with one of the P(S) groups being non-coordinated. The variable temperature P-31{H-1} NMR spectra indicate fluxional behavior of the TrisS3- ligand at room temperature and non-fluxional behavior at -80-degrees-C.

  DOI：

  10.1016/s0020-1693(00)81676-x