dibromochromium(1+);2-[2-(2-diphenylphosphanylethylsulfanyl)phenyl]sulfanylethyl-diphenylphosphane;hexafluorophosphate | 259089-03-7

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: dibromochromium(1+);2-[2-(2-diphenylphosphanylethylsulfanyl)phenyl]sulfanylethyl-diphenylphosphane;hexafluorophosphate
• CAS: 259089-03-7
• 化学式: C₃₄H₃₂Br₂CrP₂S₂*F₆P
• 分子量: 923.476
• InChiKey: IBBWVUKUGUPKAO-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  13.21
• 重原子数：
  48
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  50.6
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  thallium(I) hexafluorophosphate 、 [Cr(tetrahydrofuran)3Br₃] 、 1,9-bis-(diphenylphosphino)-3,7-dithianonane 以 硝基甲烷 为溶剂， 以40%的产率得到dibromochromium(1+);2-[2-(2-diphenylphosphanylethylsulfanyl)phenyl]sulfanylethyl-diphenylphosphane;hexafluorophosphate
  参考文献：
  名称：

  Co(III) and Cr(III) complexes of diphosphadithia ligands and the crystal structure of [CoCl2(L3)]PF6·CH2Cl2 (L3=Ph2P(CH2)2S(o-C6H4)S(CH2)2PPh2)

  摘要：

  [CrX3(thf)(3)] (X = Cl or Br) reacts with L (L=L-1-L-3 or Ph-2[14]aneP(2)S(2)) (L-1=Ph2P(CH2)(2)S(CH2)(2)S(CH2)(2)PPh2, L-2= Ph2P(CH2)(2)S(CH2)(3)S(CH2)(2)PPh2, L-3=Ph2P(CH2)(2)S(o-C6H4)S(CH2)(2)PPh2, Ph-2[14]aneP(2)S(2)=4,8-diphenyl-1,11-dithia-4,8-diphosphacyclotetradecane) and TlPF6 in MeNO2 solution to yield the distorted octahedral complexes [CrX2(L)]PF6 as green coloured solids in high yield. UV/visible spectroscopy suggests that these are cis-dihalo species and they have also been characterised by IR spectroscopy, electrospray mass spectrometry and microanalyses. The Co(III) analogues [CoX2(L)](+) are readily prepared in a two-stage reaction, involving treatment of CoX2. 6H(2)O with L (L=L-1-L-3) and NH4PF6 in EtOH solution to give a green/brown solid, followed by halogen oxidation of this product in CH2Cl2 solution using X-2/CCl4, to give the final products as brown coloured solids. A mixture of PF6- and [CoX4](2-) anions are present in the final Co(III) compounds in varying ratios. Crystal structures of [CoCl2(L-2)](2)[CoCl4]. 4H(2)O and [CoCl2(L-3)]PF6. CH2Cl2 confirm tetradentate P2S2 coordination of L in each case, with mutually cis halogens completing the distorted octahedral geometry. In both cases the complex cation adopts the cis-ol form in the solid state and this is also consistent with the solution P-31{H-1} NMR spectroscopic data. Co-59 NMR spectroscopy reveals a very broad single resonance at approximate to 3200 ppm for these species. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(99)00285-5