[Br(Et3P)2Pt]2-5,12-diethynyltetracene | 1426223-86-0

• 英文名称: [Br(Et3P)2Pt]2-5,12-diethynyltetracene
• 英文别名: [Br(Et₃P)₂Pt]₂-5,12-diethynyltetracene
• CAS: 1426223-86-0
• 化学式: C₄₆H₇₀Br₂P₄Pt₂
• 分子量: 1296.92
• InChiKey: IYPXMEDREVQKCJ-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：

  [I(Et3P)2Pt]2-5,12-diethynyltetracene 、 四正辛基溴化铵 在 silver trifluoromethanesulfonate 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以49%的产率得到[Br(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