[Pd(N(SePPh2)2-S,S')2]

• 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: [Pd(N(SePPh2)2-S,S')2]
• 英文别名: diphenylphosphinothioylimino-diphenyl-sulfido-λ5-phosphane;palladium(2+)
• 化学式: C₄₈H₄₀N₂P₄PdS₄
• 分子量: 1003.44
• InChiKey: HTGLDXNOTIMHSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.9
• 重原子数：
  59
• 可旋转键数：
  12
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  130
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  bis(diphenylthiophosphinoyl)amine 以 乙醚 、 乙腈 为溶剂， 生成 [Pd(N(SePPh2)2-S,S')2]
  参考文献：
  名称：

  Oxidation of palladium powder by the adduct Ph2P(S)NHP(S)Ph2·I2. Crystal structure of PdL2

  摘要：

  铂粉与二碘化合物Ph2P(S)NHP(S)Ph2 (HL)在乙醚中反应生成了复合物Pd(HL)I21。随后从乙腈中结晶得到了复合物PdL2。其晶体结构由离散的单体分子组成，其中一个PdII以平面方形几何构型与两个双齿阴离子配体的四个硫原子配位。通过循环伏安法研究了HL·I2和PdL2的电化学性质。傅里叶变换红外光谱（FT-IR）和31P核磁共振光谱（NMR）与这两个复合物中配体的性质相符。已经对模型复合物Pd[H2P(S)NP(S)H2]2进行了混合密度泛函理论（Hybrid-DFT）计算，以深入了解PdL2的电子性质。

  DOI：

  10.1039/b009286j

文献信息

• New E-unidentate [Ph2P(O)NP(E)Ph2]− (E=S or Se) complexes of palladium(II) and platinum(II)
  作者：Martin B Smith*、Alexandra M.Z Slawin*

  DOI：10.1016/s0277-5387(00)00311-9

  日期：2000.3

  Metathesis of the monochloro metal(II) complexes [MCl(dien)] Cl (M=Pd or Pt; dien=diethylenetriamine) with K[Ph2P(O)-NP(E)Ph-2] (E=S or Se) or K[Ph2P(O) NPPh2] (prepared in situ from Ph2P(O)NHPPh2/KOBut) in methanol gave the cationic, mononuclear compounds [M(Ph2P(O)NP(E)Ph-2-E)(dien)](+) or [M(Ph2P(O)NPPh2-P)(dien)](+), isolated as their hexafluorophosphate salts. Ligand substitution reactions of the dichlorometal(II) precursors [MCl2(N similar to N)] (M = Pd or Pt; N similar to N = ethane-1,2-diamine, 1,2-diaminocyclohexane) with K[Ph2P(O)NP(E)Ph-2] or K[Ph2P(O)NPPh2] gave the neutral his substituted compounds [MPh2P(O)NP(E)Ph-2-E}(2)(N similar to N)] or [MPh2P(O)NPPh2-P}(2)(N similar to N)] in high yields (63-89%). Reaction of the unsymmetrical palladium(II) compound [PdCl2(ampy)] (ampy = 2-aminomethylpyridine) with K[Ph2P(O)NP(E)Ph-2] gave [PdPh2P(O)NP(E)Ph-2-E}(2)(ampy)], analogous to the recently described compound [PdPh2P(O)NP(E)Ph-2-E}(2)(en)], in which both [Ph2P(O)NP(E)Ph-2](-) ligands are exclusively E-monodentate bound. In contrast, transmetallation of K[Ph2P(O)NP(E)Ph-2] with [PdCl2(tmeda)] (tmeda =N,N,N',N'-tetramethylethylenediamine) gave only the O,E-chelate monocationic complexes [PdPh2P(O)NP(E)Ph-2-O,E}(tmeda)]PF6 and not [PdPh2P(O)NP(E)Ph-2-E}(2)(tmeda)]. Under similar reaction conditions the symmetrical anions [Ph2P(E)NP(E)Ph-2](-) (E=S or Se) gave, without exception, the known bis homoleptic complexes [MPh2P(E)NP(E)Ph-2-E,E'}(2)] (M=Pd or Pt) with displacement of all chloride and amine ligands. All new compounds have been characterised by a combination of multinuclear NMR (H-1, P-31H-1}, Pt-195H-1}), IR spectroscopy and elemental analyses. Furthermore, the X-ray crystal structures of five compounds have been determined and reveal a range of intermolecular and intramolecular hydrogen bonding contacts. There is also evidence for pi-delocalisation within the E-P-N-P-O and P-N-P-O backbones of the E-ligating or O,E-chelating ligand. (C) 2000 Elsevier Science Ltd All rights reserved.
• New Palladium(II) Complexes of [Ph₂P(O)NP(E)Ph₂]⁻ (E = S OR Se)
  作者：Alexandra M. Z. Slawin、Martin B. Smith、J. Derek Woollins

  DOI：10.1080/10426509708545659

  日期：1997.1.1
• Bhattacharyya, Pravat; Novosad, Josef; Phillips, Julian, Journal of the Chemical Society, Dalton Transactions
  作者：Bhattacharyya, Pravat、Novosad, Josef、Phillips, Julian、Slawin, Alexandra M. Z.、Williams, David J.、Woolins, J. Derek

  DOI：——

  日期：——
• Oxidation of palladium powder by the adduct Ph2P(S)NHP(S)Ph2·I2. Crystal structure of PdL2
  作者：G. Luca Abbati、M. Carla Aragoni、Massimiliano Arca、Francesco A Devillanova、Antonio C. Fabretti、Alessandra Garau、Francesco Isaia、Vito Lippolis、Gaetano Verani

  DOI：10.1039/b009286j

  日期：——

  The reaction of palladium powder with the diiodine adduct of Ph2P(S)NHP(S)Ph2 (HL) in Et2O gave the complex Pd(HL)I21. Subsequent crystallisation from CH3CN separates the complex PdL2. Its crystal structure comprises discrete, monomeric molecules where a PdII is in a square planar geometry coordinated to four sulfur atoms of two bidentate anionic ligands. The electrochemistry of HL·I2 and PdL2 has been studied by cyclic voltammetry. FT-IR and 31P NMR spectroscopies are in accordance with the nature of the ligand in the two complexes. Hybrid-DFT calculations have been performed on a model complex Pd[H2P(S)NP(S)H2]2 to gain insight on the electronic nature of PdL2.

  铂粉与二碘化合物Ph2P(S)NHP(S)Ph2 (HL)在乙醚中反应生成了复合物Pd(HL)I21。随后从乙腈中结晶得到了复合物PdL2。其晶体结构由离散的单体分子组成，其中一个PdII以平面方形几何构型与两个双齿阴离子配体的四个硫原子配位。通过循环伏安法研究了HL·I2和PdL2的电化学性质。傅里叶变换红外光谱（FT-IR）和31P核磁共振光谱（NMR）与这两个复合物中配体的性质相符。已经对模型复合物Pd[H2P(S)NP(S)H2]2进行了混合密度泛函理论（Hybrid-DFT）计算，以深入了解PdL2的电子性质。