trans-[(PdCl(PEt3)2)2(ortho-bis(ethynylbenzene)-N,N'-tetramethoxyquinone diimine(-2H))] | 1025721-59-8

• 英文名称: trans-[(PdCl(PEt3)2)2(ortho-bis(ethynylbenzene)-N,N'-tetramethoxyquinone diimine(-2H))]
• CAS: 1025721-59-8
• 化学式: C₅₀H₈₀Cl₂N₂O₄P₄Pd₂
• 分子量: 1180.84
• InChiKey: VDUTXGGJQDUIPA-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  dichlorobis(triethylphosphine)palladium(II) 、 ortho-bis(ethynylbenzene)-N,N'-tetramethoxyquinone diimine 在 CuI 、 ((CH₃)2CH)2NH 作用下， 以 二氯甲烷 为溶剂， 生成 trans-[(PdCl(PEt3)2)2(ortho-bis(ethynylbenzene)-N,N'-tetramethoxyquinone diimine(-2H))]
  参考文献：
  名称：

  Conjugated Oligomers and Polymers of cis- and trans-Platinum(II)-para- and ortho-bis(ethynylbenzene)quinone Diimine

  摘要：

  Three conjugated polymers of the type (-spacer-C C-PtL2-C C-)(n), with spacer = para- and ortho-bis(diphenyl(tetramethoxy)quinone diimine) and L = PEt3, were synthesized as the cis- and trans-isomers about the Pt. The three combinations (spacer/PtL2Cl2), ortho/trans, para/trans, and para/cis led to polydispersed polymers, which upon fractionation provided more monodispersed materials with M. ranging from 3600 to 32400 (GPC). The spacer ortho-bis(diphenylethynyl)tetramethoxyquinone diimine reacts with cis-PtL2Cl2 to form small oligomers and a chelate cyclic complex (7), which was used as a model compound. All materials along with the atyl-C C-PtL2-C C-aryl models (L = PEt3; aryl = C6H5, 2,4,6-C6H2Me3; 2,4,5-C6H2Me3) were studied by H-1 and P-31 NMR, IR, UV-vis, TGA, DSC, luminescence spectroscopy, photophysics, and cyclic voltammetry. The UV-vis spectra exhibit an intramolecular low-energy and low-intensity charge transfer band (CT) assigned to :pi(Ph-C C) (for organics) and pi/d(xy)((Ph-C C)(2)Pt) (for organometallics) to the pi*(quinone diimine), as demonstrated by comparison with a corresponding amine derivative (i.e., no CT band) and corroborated by DFT and TDDFT. The polymers and 7 are not luminescent at room temperature (solid and solution). However in 2MeTHF at 77 K, the polymers bearing the combination ortho/trans and para/cis as well as the model compound 7 exhibit higher energy phosphorescence (T-n -> S-0) originating from the pi pi*/d(xy)((Ph-C C)(2)Pt) excited states. A correlation between the structural parameters (angle made by the PtP2(C C)(2) vs the aryl planes, angle made by the aryl and the quinone diimine planes, molecular weight) with the calculated oscillator strength, absorptivities, and the observed position of the lowest energy absorption bands is demonstrated. Finally, upper energy delayed fluorescence (S-n -> S-0) was detected for the polymers and 7 at 77 K and was assigned to T-1-T-1, interactions via aggregation as its intensity varies with the concentration.

  DOI：

  10.1021/om7010563