[4,4'-dioctyloxycarbonyl-2,2'-bipyridine]PtCl2 | 643745-11-3

• 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: [4,4'-dioctyloxycarbonyl-2,2'-bipyridine]PtCl2
• 英文别名: (dioctyl 2,2'-bipyridyl-4,4'-dicarboxylate)platinum(II) chloride；Dichloroplatinum;octyl 2-(4-octoxycarbonylpyridin-2-yl)pyridine-4-carboxylate
• CAS: 643745-11-3
• 化学式: C₂₈H₄₀Cl₂N₂O₄Pt
• 分子量: 734.623
• InChiKey: BEHJBMJUNAAQCI-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  8.55
• 重原子数：
  37
• 可旋转键数：
  18
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  78.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  [4,4'-dioctyloxycarbonyl-2,2'-bipyridine]PtCl2 、 3,6-diethynyl-9-octyl-9H-carbazole 在 copper(l) iodide 作用下， 以 二氯甲烷 、 三乙胺 为溶剂， 以15 %的产率得到
  参考文献：
  名称：

  Synthesis of a platinacycle: determination of the structure and examination of the photophysical properties based on DFT calculations

  摘要：

  一种新型铂环表现出可归因于配体-配体电荷转移的紫外-可见吸收，以及基于分子排列的双折射。

  DOI：

  10.1039/d2dt03524c
• 作为产物：
  描述：

  2,2'-联吡啶-4,4'-二甲酸 在 氯化亚砜 、 三乙胺 、 N,N-二甲基甲酰胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 25.0h， 生成 [4,4'-dioctyloxycarbonyl-2,2'-bipyridine]PtCl2
  参考文献：
  名称：

  Synthesis of a platinacycle: determination of the structure and examination of the photophysical properties based on DFT calculations

  摘要：

  一种新型铂环表现出可归因于配体-配体电荷转移的紫外-可见吸收，以及基于分子排列的双折射。

  DOI：

  10.1039/d2dt03524c

文献信息

• Self‐Organization of Dipolar 4,4′‐Disubstituted 2,2′‐Bipyridine Metal Complexes into Luminescent Lamellar Liquid Crystals
  作者：Daniela Pucci、Giovanna Barberio、Alessandra Crispini、Oriano Francescangeli、Mauro Ghedini、Massimo La Deda

  DOI：10.1002/ejic.200300223

  日期：2003.10

  characterized by intermolecular associations of the new derivatives, induces mesomorphism in most [L2MX2] complexes, confirming the importance of coordination chemistry in metal-mediated formation of liquid crystals. Single crystal X-ray structures have been determined for dihexadecyl 2,2′-bipyridyl-4,4′-dicarboxylatopalladium and -zinc dichloride derivatives. Both the metal centres and the ancillary ligands

  单核顺式二氯配合物 [LnMCL2]，具有不同的金属中心（PtII、NiII 和 ZnII）和一系列钯和铂衍生物 [L2MX2]，其中氯基团被碘化物、溴化物和叠氮化物配体取代，已由 4,4'-二取代-2,2'-联吡啶合成。在这些非介晶配体络合后，以新衍生物分子间缔合为特征的特殊结构排列在大多数 [L2MX2] 配合物中诱导介晶现象，证实了配位化学在金属介导的液晶形成中的重要性。已确定二十六烷基 2,2'-联吡啶-4,4'-二羧基钯和二氯化锌衍生物的单晶 X 射线结构。金属中心和辅助配体都经过改变，以使用偶极耦合作为控制分子结构的工具：热和光谱特性在很大程度上取决于分子偶极相互作用。已经获得了基于 PdII 和 PtII 的可调谐红色和蓝色发射器，无论是在溶液中还是在固态中。(© Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany
• Effect of Axial Interactions on the Formation of Mesophases: Comparison of the Phase Behavior of Dialkyl 2,2′-bipyridyl-4,4′-dicarboxylate Complexes of Pt(II), Pt(IV), and Pt(II)/Pt(IV) Molecular Alloys
  作者：Rachel J. Allenbaugh、Cynthia K. Schauer、Amanda Josey、James D. Martin、Denis V. Anokhin、Dimitri A. Ivanov

  DOI：10.1021/cm3018105

  日期：2012.12.11

  Crystal engineering through the use of metal-based interactions is relatively common, but this approach has not been widely used to develop highly ordered liquid-crystalline (LC) phases. Herein is presented a Pt(II)/Pt(IV) system with a highly ordered LC phase engineered to form through metal-based MX chain interactions of the type Pt(II)center dot center dot center dot Cl-Pt(IV). This LC material constitutes a molecular alloy in which a single mesophase is formed from two components, and is the first alloy to include a Pt(IV) component. The molecular alloy was characterized via differential scanning calorimetry (DSC), polarizing optical microscopy (POM), and variable-temperature X-ray diffraction (VT XRD). The alloy properties are contrasted with complimentary analyses of the individual components. The newly synthesized tetrachloro(dialkyl 4,4'-dicarboxylate-2,2'-bipyridyl)platinum(IV) complexes ((PtLCl4)-Cl-n, n is the number of carbons in the alkyl chain) are themselves liquid crystalline. Structural and thermal properties of the Pt(II) analogues are presented to provide context to the behaviors of the Pt(IV) species and the alloys. Single-crystal X-ray diffraction data is presented for (PtLCl2)-Cl-1 center dot CH2Cl2, (PtLCl2)-Cl-2, and (PtLCl2)-Cl-16-center dot 2CHCl(3). This study demonstrates the potential of mesophase ordering through carefully engineered metal-based interactions. The resulting alloy provides a phase for studying MX chain interactions outside of the solid state.