| 960209-79-4

• CAS: 960209-79-4；960209-78-3
• 化学式: C₂₂H₁₈FeN₂Ru
• 分子量: 467.315
• InChiKey: ZJDKQKDQTXTXIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  在 ((n-C₄H₉)4N)PF₆ 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Synthesis of Multifunctional Aza-Substituted Ruthenocene Derivatives Displaying Charge-Transfer Transitions and Selective Zn(II) Ions Sensing Properties

  摘要：

  The synthesis, electrochemical, electronic, and cation sensing properties of multinuclear nitrogen-rich [2.2]- and [3.3]-mixed ferrocene and ruthenocene metallocenophanes are presented. Structural features of these new structural motifs are that the two redox organometallics fragments are linked by unsaturated nitrogen functionalities, for example, carbodiimide or aldimine, as well as the nitrogen atom is directly attached to the ruthenocene unit. The key bis(iminophosphorane) 3 is readily prepared by the Staudinger reaction between triphenylphosphine and 1, 1'-diazidoruthenocene 2, which has been prepared from 1, 1'-dilithioruthenocene and 2,4,6-trisopropylbenzenesulfonyl azide (trisyl azide). Subsequent aza-Wittig reactions of 3 with the appropriate carbonyl or thiocarbonyl compounds provided the opened ruthenocenebased isothiocyanate 4, and the closed carbodiimide 5 and aldimines 6 and 7. Spectroclectrochemical studies of carbodiimide 5 and aldimine 7 revealed the presence of low-energy bands in the near-IR region in the partially oxidized forms, at 1029 and 1481 nm, respectively, which indicate the existence of intramolecular charge transfer between the iron and the ruthenium centers. The experimental data and conclusions are supported by DFT computations. Moreover, the aldimine 7 behaves as a selective colorimetric chemosensor molecules for Zn2+ ions. The low-energy (LE) band of the absorption spectrum of this compound is red-shifted by 99 nm, only in the presence of Zn2+ ions; This change in the absorption spectrum is accompanied by a dramatic color change, which allows the potential for '' naked eye '' detection.

  DOI：

  10.1021/om700757m
• 作为产物：
  描述：

  1,1'-ruthenocene dicarboxaldehyde 、 1,1'-bis(triphenylphosphoranylidenamino)ferrocene 以 甲苯 为溶剂， 以59%的产率得到
  参考文献：
  名称：

  Synthesis of Multifunctional Aza-Substituted Ruthenocene Derivatives Displaying Charge-Transfer Transitions and Selective Zn(II) Ions Sensing Properties

  摘要：

  The synthesis, electrochemical, electronic, and cation sensing properties of multinuclear nitrogen-rich [2.2]- and [3.3]-mixed ferrocene and ruthenocene metallocenophanes are presented. Structural features of these new structural motifs are that the two redox organometallics fragments are linked by unsaturated nitrogen functionalities, for example, carbodiimide or aldimine, as well as the nitrogen atom is directly attached to the ruthenocene unit. The key bis(iminophosphorane) 3 is readily prepared by the Staudinger reaction between triphenylphosphine and 1, 1'-diazidoruthenocene 2, which has been prepared from 1, 1'-dilithioruthenocene and 2,4,6-trisopropylbenzenesulfonyl azide (trisyl azide). Subsequent aza-Wittig reactions of 3 with the appropriate carbonyl or thiocarbonyl compounds provided the opened ruthenocenebased isothiocyanate 4, and the closed carbodiimide 5 and aldimines 6 and 7. Spectroclectrochemical studies of carbodiimide 5 and aldimine 7 revealed the presence of low-energy bands in the near-IR region in the partially oxidized forms, at 1029 and 1481 nm, respectively, which indicate the existence of intramolecular charge transfer between the iron and the ruthenium centers. The experimental data and conclusions are supported by DFT computations. Moreover, the aldimine 7 behaves as a selective colorimetric chemosensor molecules for Zn2+ ions. The low-energy (LE) band of the absorption spectrum of this compound is red-shifted by 99 nm, only in the presence of Zn2+ ions; This change in the absorption spectrum is accompanied by a dramatic color change, which allows the potential for '' naked eye '' detection.

  DOI：

  10.1021/om700757m