Pb{(SC₆H₄-2-PPh₂)-κ²-S,P}₂ | 265312-40-1

• 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: Pb{(SC₆H₄-2-PPh₂)-κ²-S,P}₂
• 英文别名: bis[(2-diphenylphosphanylphenyl)sulfanyl]lead
• CAS: 265312-40-1
• 化学式: C₃₆H₂₈P₂PbS₂
• 分子量: 793.898
• InChiKey: SJBLAQLPFPWOMC-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  6.32
• 重原子数：
  41.0
• 可旋转键数：
  4.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  2-(二苯基膦基)苯硫酚 、 lead(II) chloride 在 三乙胺 作用下， 以 甲醇 为溶剂， 反应 15.0h， 以41.2%的产率得到Pb{(SC₆H₄-2-PPh₂)-κ²-S,P}₂
  参考文献：
  名称：

  Metal Complexes (M = Zn, Sn, and Pb) of 2-Phosphinobenzenethiolates: Insights into Ligand Folding and Hemilability

  摘要：

  The divalent metal complexes M-II{(SC6H4-2-PR2)-kappa S-2,P}(2) (3-7, and 9-11) (M= Zn, Sn, or Pb; R = Pr-i, Bu-t, or. Ph); the Sn(W) complexes :Sn{(SC6H4-2-PR2)-kappa(2)-S,P}Ph2Cl (12 and 13) (R = Pr-i and Bu-t), and the ionic Sn(IV) complexes [Sn{(SC6H4-2-PR2)-kappa(2)-S,P}Ph-2[BPh4] (14 and 15) (R = Pr-i and Bu-t) have been prepared and characterized by multinuclear NMR spectroscopy and single. crystal X.-ray diffraction when suitable crystals were afforded The Sn(II) and Pb(II) complexes with R = Ph, Pr-i, or Bu-t (5, 6, 9, and 10) demonstrated ligand "folding" hinging on the P,S vector-a behavior driven by the repulsions of the metal/phosphorus and:metal/sulfur lone Pairs and increased M-S sigma bonding strength. This phenomenon Was examined by density functional theory (DFT) calculations for the compounds in both folded and unfolded states. The Sn(IV) compound 13 (R = Bu-t) crystallized with the phosphine in an axial position of the pseudotrigonal bipyramidal complex and also exhibited hemilability in the Sn P dative bond, while compound 12 (R = Pr-i), interestingly, crystallized with phosphine in an equatorial position and did not show hemilability. Finally, the crystal structure of 15 (R = Bu-t) revealed the presence of an uncommon, 4-coordinate, stable Sn(IV) cation.

  DOI：

  10.1021/ic400990n

文献信息

• Lead(II) complexes with phosphorylthiolato and thiophosphorylthiolato ligands
  作者：Paulo Pérez-Lourido、Jaime Romero、José A. García-Vázquez、Antonio Sousa、Yifan Zheng、Jonathan R. Dilworth、Jon Zubieta

  DOI：10.1039/a908496g

  日期：——

  Neutral lead complexes of a series of phosphorylarenethiol and thiophosphorylarenethiol proligands have been synthesised. Compounds [Pb2-(Ph2P)C6H4S}2] 1, [Pb2-(Ph2P)-6-(Me3Si)C6H3S}2] 2 and [Pb2-(Ph2PO)-6-(Me3Si)C6H3S}2] 3 were obtained by the electrochemical oxidation of a lead anode in a cell containing an acetonitrile solution of the ligand. [Pb2-(Ph2P(O)CH2)C6H4S}2] 4, [Pb2-(Ph2P(S)CH2)C6H4S}2]

  已经合成了一系列磷杂芳基硫醇和硫代磷杂芳基硫醇配体的中性铅配合物。化合物[Pb 2-（Ph 2 P）C 6 H 4 S} 2 ] 1，[Pb 2-（Ph 2 P）-6-（Me 3 Si）C 6 H 3 S} 2 ] 2和[ Pb 2-（Ph 2 PO）-6-（Me 3 Si）C 6 H 3 S} 2 ] 3通过在含有乙腈溶液的电池中的铅阳极进行电化学氧化得到。配体。[Pb 2-（Ph 2 P（O）CH 2）C 6 H 4 S} 2 ] 4，[Pb 2-（Ph 2 P（S）CH 2）C 6 H 4 S} 2 ] 5和铅[Pb 2,6-（PH 2 P（S）CH 2）2 C ^ 6 ħ 3 S} 2 ] 6，通过添加适当的前配体的至的甲醇溶液获得的醋酸铅。的分子结构3，4和5示出了处于与对Pb（其立体化学活性孤对五配位的几何形状的金属II在一个三角双锥的赤道位置）。在3中，金属配位是由一个额外的弱PB-（η补充6