Ph3PAu(I)-tetracene | 1228177-66-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Ph3PAu(I)-tetracene
• CAS: 1228177-66-9
• 化学式: C₃₆H₂₆AuP
• 分子量: 686.543
• InChiKey: KGMNRFJGSQLBGX-UHFFFAOYSA-N

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：

  三苯基膦氯金 、 5-bromotetracene 在 n-BuLi 作用下， 以 tetrahydrofuran 为溶剂， 以10%的产率得到Ph3PAu(I)-tetracene
  参考文献：
  名称：

  Gold(I) and Platinum(II) Tetracenes and Tetracenyldiacetylides: Structural and Fluorescence Color Changes Induced by σ-Metalation

  摘要：

  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.

  DOI：

  10.1021/om100046h