phenylpyridinatochloridopalladium(II)

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: phenylpyridinatochloridopalladium(II)
• 英文别名: [Pd(2-phenylpyridine)(μ-Cl)]₂；[Pd(ppy)(μ-Cl)]₂；[Pd(2-(2-pyridyl-κN)phenyl-κC1)(μ-Cl)]2
• 化学式: 2C₁₁H₈N*2Cl*2Pd
• 分子量: 592.128
• InChiKey: AUMNMVHIJUGERX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  新铜试剂 、 phenylpyridinatochloridopalladium(II) 以 二氯甲烷 为溶剂， 反应 24.0h， 以61%的产率得到
  参考文献：
  名称：

  2-苯基吡啶和取代菲咯啉混合配体环钯酸酯的合成和表征：2-苯基吡啶羟基化反应的研究

  摘要：

  DOI：

  10.1016/j.ica.2021.120254
• 作为产物：
  描述：

  2-苯基吡啶 、 以 氯仿 、 溶剂黄146 为溶剂， 以30-55的产率得到phenylpyridinatochloridopalladium(II)
  参考文献：
  名称：

  Doubly cyclopalladated complexes of N,N,N′,N′-tetraethylbenzene-1,3-bis(methylamine)

  摘要：

  N,N,N',N'-Tetraethylbenzene-1,3-bis(methylamine) (L) undergoes regiospecific double cyclopalladation with Li2[PdCl4] at the 4,6 positions of the benzene ring to produce the chloro-bridged polymeric complex [Pd2(L - 2H)Cl2], Reactions of this complex with PPh3, methylpyridines, acetylacetone, ethylacetoacetate, monothiodibenzoylmethane and trifluoro(thenoyl)acetone have been studied and the products characterized by H-1 and C-13 NMR spectroscopy. Treatment of [Pd2(L - 2H)(PPh3)2Cl2] with MeCO2H and LiCl produces at room temperature the nitrogen-protonated species [Pd2L(PPh3)2Cl4], but trans-[Pd2(PPh3)2Cl4] and the metal-free ligand (L) are formed at 80-degrees-C. The complex [Pd2(L - 2H)Cl2] undergoes exchange reaction with ligands capable of forming monocyclopalladated complexes. The crystal structure of [Pd2(L - 2H)(PPh3)2Cl2] has been determined: monoclinic, space group C2/c, a = 20.676(4), b = 12.436(3), c = 19.445(4) angstrom, beta = 14.29(3)-degrees and Z = 4; refinement led to R = 0.035 and R' = 0.043 using 3533 unique reflections with I > 2sigma(I).

  DOI：

  10.1039/dt9920003119

文献信息

• Mixed-ligand Pt(II) and Pd(II) complexes on the basis of cyclometalated 2-phenylpyridine and polypyridyl ligands
  作者：G. O. Finagenova、A. A. Nikiforova、M. V. Puzyk、K. P. Balashev

  DOI：10.1134/s1070363208090223

  日期：2008.9

  (1)H NMR spectroscopy, electronic absorption and emission spectroscopy, and cyclic voltammetry were used for comparative study of the complexes [M(ppy)(dpz)]ClO(4), [M(ppy)ddpq]ClO(4), and [(M(ppy)(2)(mu-tpbq)](ClO(4))(2) (M = Pt(II), Pd(II); ppy(-) = deprotonated 2-phenylpyridine; dpz = 2,3-dipirydylpyrazine, ddpq = 6,7-dimethyl-2,3-dipyridylquinoxaline, tpbq = 2,2',3,3'-tetrapyridyl-6,6'-biquinoline). The complexes feature trans arrangement of the pyridine moieties of the cyclometalated ppy and polypyridyl (N(boolean AND)N) ligands. Steric interactions orient the noncoordinated pyridine moiety of the (N(boolean AND)N) ligands orthogonally to the coordination plane of the complexes. One-electron reduction potentials and parameters of the absorption and luminescence spectra of the complexes were determined. It was shown in terms of the localized molecular orbital model that the LUMOs of the [M(ppy)dpz](+) complexes are primarily localized on the M(ppy)} metal complex fragment. The presence of low-energy vacant pi* orbitals in ddpq and tpbq results in that the LUMOs in the [M(ppy)ddpq] and [(M(ppy)(2) mu-tpbq](2+) complexes are localized on the polypyridyl (N(boolean AND)N) ligand, which is responsible for highly efficient photoexcitation energy transfers [M(ppy)-> ddpq](+) and [M(ppy) -> (mu-tpbq)<-(ppy)](2+).

  采用 (1)H NMR 光谱、电子吸收光谱和发射光谱以及循环伏安法，对配合物 [M(ppy)(dpz)]ClO4、[M(ppy)ddpq]ClO4 和 [(M(ppy)2(μ-tpbq)](ClO4)2（M = Pt(II), Pd(II)；ppy⁻ = 去质子化的 2-苯基吡啶；dpz = 2,3-二吡啶基吡嗪；ddpq = 6,7-二甲基-2,3-二吡啶基喹喔啉；tpbq = 2,2',3,3'-四吡啶基-6,6'-双喹啉）进行了比较研究。这些配合物中，环状金属化的 ppy 和多吡啶 (N∧N) 配体的吡啶基团呈现出反式排列。空间相互作用使得 (N∧N) 配体的非配位吡啶基团与配合物的配位平面呈垂直取向。确定了这些配合物的一电子还原电位以及吸收和发光光谱参数。根据局域分子轨道模型，[M(ppy)dpz]+ 配合物的 LUMO 主要局域在 M(ppy)} 金属基元片段上。由于 ddpq 和 tpbq 中存在低能的空 π* 轨道，[M(ppy)ddpq] 和 [(M(ppy)2)(μ-tpbq)]2+ 配合物的 LUMO 局域在多吡啶 (N∧N) 配体上，这导致了高效的光激发能量转移，如 [M(ppy)→ddpq]+ 和 [M(ppy)→(μ-tpbq)←(ppy)]2+。
• Kulikova; Kvam; Songstad, Russian Journal of General Chemistry, 1997, vol. 67, # 6, p. 967 - 968
  作者：Kulikova、Kvam、Songstad、Balashev

  DOI：——

  日期：——
• Doubly cyclopalladated complexes of N,N,N′,N′-tetraethylbenzene-1,3-bis(methylamine)
  作者：Sukla Chakladar、Parimal Paul、Alok K. Mukherjee、Sujit K. Dutta、Kausik K. Nanda、Debi Podder、Kamalaksha Nag

  DOI：10.1039/dt9920003119

  日期：——

  N,N,N',N'-Tetraethylbenzene-1,3-bis(methylamine) (L) undergoes regiospecific double cyclopalladation with Li2[PdCl4] at the 4,6 positions of the benzene ring to produce the chloro-bridged polymeric complex [Pd2(L - 2H)Cl2], Reactions of this complex with PPh3, methylpyridines, acetylacetone, ethylacetoacetate, monothiodibenzoylmethane and trifluoro(thenoyl)acetone have been studied and the products characterized by H-1 and C-13 NMR spectroscopy. Treatment of [Pd2(L - 2H)(PPh3)2Cl2] with MeCO2H and LiCl produces at room temperature the nitrogen-protonated species [Pd2L(PPh3)2Cl4], but trans-[Pd2(PPh3)2Cl4] and the metal-free ligand (L) are formed at 80-degrees-C. The complex [Pd2(L - 2H)Cl2] undergoes exchange reaction with ligands capable of forming monocyclopalladated complexes. The crystal structure of [Pd2(L - 2H)(PPh3)2Cl2] has been determined: monoclinic, space group C2/c, a = 20.676(4), b = 12.436(3), c = 19.445(4) angstrom, beta = 14.29(3)-degrees and Z = 4; refinement led to R = 0.035 and R' = 0.043 using 3533 unique reflections with I > 2sigma(I).
• Synthesis and characterization of mixed ligand cyclopalladates with 2-phenylpyridine and substituted phenanthrolines: Investigation into the hydroxylation reaction of 2-phenylpyridine
  作者：Antonia Garypidou、Konstantinos Ypsilantis、Theodoros Tsolis、Andreas Kourtellaris、John C. Plakatouras、Achilleas Garoufis

  DOI：10.1016/j.ica.2021.120254

  日期：2021.4