[I(Et3P)2Pt]2-5,12-diethynyltetracene | 1228177-70-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 蒽
• 英文名称: [I(Et3P)2Pt]2-5,12-diethynyltetracene
• 英文别名: [I(Et₃P)₂Pt]₂-5,12-diethynyltetracene；trans-[I(Et3P)2Pt(II)]2-5,12-tetracenyldiacetylide
• CAS: 1228177-70-5
• 化学式: C₄₆H₇₀I₂P₄Pt₂
• 分子量: 1390.93
• InChiKey: PBIHSCLPFSPSCL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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

• 作为反应物：
  描述：

  [I(Et3P)2Pt]2-5,12-diethynyltetracene 、 四丁基氯化铵 在 silver trifluoromethanesulfonate 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以77%的产率得到[Cl(Et3P)2Pt]2-5,12-diethynyltetracene
  参考文献：
  名称：

  Ligand Perturbations on Fluorescence of Dinuclear Platinum Complexes of 5,12-Diethynyltetracene: A Spectroscopic and Computational Study

  摘要：

  To understand how the Pt-II ion perturbs the electronic structures of tetracene, 10 dinuclear [X(Et3P)(2)Pt-II](2)-5,12-diethynyltetracene complexes with different auxiliary ligands were synthesized. Interactions between the Pt-II ion and 5,12-diethynyltetracene were probed spectroscopically and computationally. The dinuclear [X(Et3P)(2)Pt-II]2-5,12-diethynyltetracene complexes exhibit red-shifted absorption and fluorescence in comparison with those of 5,12-bis-(triisopropylsilylethynyl)tetracene, with the neutral complexes with g-donating auxiliary ligands showing a larger red shift than the cationic complexes with pi-accepting ligands. Electronic structures of the complexes and effects of the metal ions and the ligands on the electronic transitions of the complexes were investigated by TD-DFT calculations, the results of which showed that the electronic structure of the 5,12-diethynyltetracene core is perturbed by g interactions with the Pt fragments, the extent of which depends on the energies of the dg orbitals of the Pt fragments.

  DOI：

  10.1021/om300904b
• 作为产物：
  描述：

  trans diiodobis(triethylphosphine)platinum(II) 、 5,12-双（（三异丙基甲硅烷基）乙炔基）并四苯 在 copper(l) iodide 、 二异丙胺 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 生成 [I(Et3P)2Pt]2-5,12-diethynyltetracene
  参考文献：
  名称：

  通过并五苯铂化实现从分子到超分子水平的单光子近红外响应

  摘要：

  近红外 (NIR) 响应对各种应用都很重要。目前，与显示双光子吸收和三重态-三重态湮灭过程的系统相比，单光子 NIR 响应系统很少见。由于空间限制效应，光响应发色团的超分子堆叠导致效率降低。在此，我们表明并五苯的 σ 铂化是构建单光子 NIR 响应系统的可行方案，其优点包括低 HOMO-LUMO 能隙、高光化学效率和通路特异性。并五苯到内过氧化的转变伴随着颜色和吸光度的变化。σ-镀并并五苯的高光氧化效率促进了一维超分子聚合物的近红外响应，导致超分子手性信号的消失和自组装纳米纤维的破坏。总的来说，σ-铂化策略为分子和超分子水平的近红外光响应材料开辟了新的途径。

  DOI：

  10.1002/anie.202103125

文献信息

• Gold(I) and Platinum(II) Tetracenes and Tetracenyldiacetylides: Structural and Fluorescence Color Changes Induced by σ-Metalation
  作者：Minh-Hai Nguyen、John H. K. Yip

  DOI：10.1021/om100046h

  日期：2010.6.14

  sigma-Metalation of tetracene can change the emission color of and introduce new structural dimensionality to the organic chromophore. Two synthetic entries to sigma-metallotetracenes have been explored, leading to emissive mononuclear (Ph3PAuI)-tetracene (1) and cis-[Br(Et3P)(2)Pt-II]-tetracene (2) and binuclear (R3PAu(I))(2)-tetracenyldiacetylide (R = Ph (4), Me (5)) and trans-[I(Et3P)(2)Pt-II](2)-tetracenyldiacetylide (6). Metalation can lower the emission energy of tetracene up to 0.53 eV. The X(Et3P)(2)Pt-II group (X = Br, I) has stronger perturbations on the tetracenyl ring than the R3PAu(I) group. sigma-Metalation also leads to different crystal packing of the complexes and thus arrangements of the tetracenyl rings. Aurophilic attraction operates in 5, leading to self-assembly of the molecules into a novel honeycomb structure composed of helical Au-I chains. In contrast to the other complexes, the crystal of 5 is not emissive, possibly due to efficient exciton delocalization.