trans-[(CCPh)(Cl)(tri-t-butylphosphane)2palladium(II)] | 55500-69-1

• 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: trans-[(CCPh)(Cl)(tri-t-butylphosphane)2palladium(II)]
• 英文别名: trans-[PdCl(PBu3)2(C2-C6H5)]；trans-[Cl(PBu3)2PdCCC6H5]；trans-[palladium(II)chloride(tributylphosphane)2(phenylacetylide)]；Chloropalladium(1+);ethynylbenzene;tributylphosphane
• CAS: 55500-69-1
• 化学式: C₃₂H₅₉ClP₂Pd
• 分子量: 647.641
• InChiKey: NLWXLRBCCRAYKN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  12.05
• 重原子数：
  36
• 可旋转键数：
  19
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  potassium thioacetate 、 trans-[(CCPh)(Cl)(tri-t-butylphosphane)2palladium(II)] 以 二氯甲烷 为溶剂， 生成 trans-thioacetate-ethynylphenyl-bis(tributylphosphine)palladium(II)
  参考文献：
  名称：

  Synthesis and characterization of gold nanoparticles stabilized by palladium(II) phosphine thiol

  摘要：

  This work is focused on the synthesis of innovative hybrids made by linking gold nanoparticles to protected organometallic Pd(II) thiolate. The organometallic protected Pd(II) thiolate, i.e. trans-thioacetate-ethynylphenyl-bis(tributylphosphine) palladium(II) has been synthesized, in situ deprotected and linked to Au nanoparticles. In this way new hybrid, with a direct link between Pd(II) and Au nanoparticles through a single S bridge, has been isolated. The combination of the organometallic Pd(II) thiol with gold nanoparticles allows the enhancement and tailoring of electronic and optical properties of the new organic-inorganic nano-compound. Single-crystal gold nanoparticles, uniform in shape and size were obtained by applying a modified two-phase method (improved Brust-Schiffrin reaction). In addition, the chemical environment of the Au nanoparticles was investigated and a covalent bonding between Au nanoparticles and the organometallic thiols was observed. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.12.024
• 作为产物：
  描述：

  苯基乙炔三丁基锡 、 bis(tributylphosphine)dichloropalladium(II) 以 N,N-二甲基甲酰胺 为溶剂， 生成 trans-[(CCPh)(Cl)(tri-t-butylphosphane)2palladium(II)]
  参考文献：
  名称：

  金属炔基模型和低聚物的制备：NMR，GPC和X射线结构表征，用于构建分子装置的结构单元

  摘要：

  已经进行了系统的研究，以使用基于钯的扩展一锅（EOP）合成规程来制备通式为[CCArCCM（L）m的金属炔基低聚物] n（M ＝ Pt，Pd）。型的模型化合物反式-M（PBU 3）2（CCC 6 ħ 5）2已经通过tributyltinethynylbenzene与反应制备反式-M（PBU 3）2氯2，在没有钯催化的，由于催化性Pd（PPh 3）4的存在含有起始原料，产物和中间产率的反应混合物复杂反-MCl（PBU 3）2（CCC 6 ħ 5）。钯催化已经被用于bistinacetylide的形成的化合物卜3 SnCCArCCSnBu 3（AR = C 6 H ^ 4 ;双（2,5- Ñ -octyloxy）C 6 H ^ 4）。随后在不存在钯催化剂的情况下将这些化合物与MCl 2（PBu 3）2偶联，得到金属炔基低聚物。比较31P-NMR和凝胶渗透色谱（GP

  DOI：

  10.1016/j.jorganchem.2003.08.007

文献信息

• A Porphyrin‐Bridged Pd Dimer Complex Stabilizes Gold Nanoparticles
  作者：Ilaria Fratoddi、Chiara Battocchio、Giovanni Polzonetti、Fabio Sciubba、Maurizio Delfini、Maria Vittoria Russo

  DOI：10.1002/ejic.201100339

  日期：2011.11

  porphyrin-bridged bimetallic palladium(II) diphenylacetylide complex and the oligomer with 3–5 repeat units have been prepared and spectroscopically characterized. The porphyrin-bridged Pd complex has been used for the stabilization of gold nanoparticles, thus giving rise to unexpected stable structures with no evidence of covalent bonds between the porphyrin and the gold nanoparticles. The morphology investigated

  卟啉桥连的双金属钯（II）二苯乙炔络合物和具有 3-5 个重复单元的低聚物已被制备和光谱表征。卟啉桥接的 Pd 络合物已用于稳定金纳米粒子，从而产生出乎意料的稳定结构，没有证据表明卟啉和金纳米粒子之间存在共价键。通过 TEM 分析研究的形态表明，已经获得了平均直径约为 5 nm 的金纳米粒子。UV/Vis 光谱揭示了通过在 500 nm 处存在等离子体共振以及卟啉分子在 436 和 620 nm（Q 带）处的吸收特征来实现稳定的金纳米粒子。光致发光光谱表现出以 572 nm 为中心的发射特征，肩峰位于 325 nm，没有淬灭效应。Au 4f 核心水平的 XPS 测量表明纳米颗粒表面的金原子与基于卟啉的复合物之间存在电子相互作用；NMR 光谱研究表明，还发生了涉及卟啉环的相互作用和组装。元素分析表明，大约 120 个倾斜的卟啉物理吸附到 Au 核上。
• Sebald, Angelika; Wrackmeyer, Bernd; Beck, Wolfgang, Zeitschrift fur Naturforschung, Teil B: Anorganische Chemie, Organische Chemie, 1983, vol. 38, # 1, p. 45 - 56
  作者：Sebald, Angelika、Wrackmeyer, Bernd、Beck, Wolfgang

  DOI：——

  日期：——
• Self-Assembled Monolayers Based on Pd-Containing Organometallic Thiols: Preparation and Structural Characterization
  作者：Rosa Vitaliano、Ilaria Fratoddi、Iole Venditti、Giuseppina Roviello、Chiara Battocchio、Giovanni Polzonetti、Maria Vittoria Russo

  DOI：10.1021/jp904865k

  日期：2009.12.31

  Multilayers and self-assembled monolayers of on-purpose-prepared organometallic thiolates, trans-[Pd(PBu3)(2)(SCOCH3)(2)], trans-[(C6H5C C)Pd(PBu3)(2)(SCOCH3)], and trans, trans-[(CH3COS)Pd(PBu3)(2)-(C C-C6H4-C6H4-C C)(PBu3)(2)Pd(SCOCH3)] Were deposited onto gold surfaces. High-resolution X-ray photoelectron spectroscopy and near-edge X-ray absorption fine structure measurements allowed us to assess the anchoring of the organometallic thiols onto gold substrates; the interaction occurring at the interface; and their molecular orientation oil the surface with tilt angles of about 30 degrees-40 degrees, depending on. the investigated molecule. The molecule packing density/coverage was also assessed.