4-iodo-4'-ferrocenylethynyl-biphenyl | 950193-43-8

• 英文名称: 4-iodo-4'-ferrocenylethynyl-biphenyl
• CAS: 950193-43-8
• 化学式: C₂₄H₁₇FeI
• 分子量: 488.15
• InChiKey: NCDKDIQCWXMRRV-UHFFFAOYSA-N

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：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  4-iodo-4'-ferrocenylethynyl-biphenyl 、 苯乙炔 在 catalyst: Pd(PPh₃)2Cl₂/Cu(OAc)2 1:1 mixt. 作用下， 以 四氢呋喃 为溶剂， 以69%的产率得到
  参考文献：
  名称：

  Studies on the synthesis, characterization and reactivity of new ferrocenylacetylenylbiphenyl derivatives

  摘要：

  A series of ferrocenylacetylenylbiphenyl derivatives Fc-C C-R [R = C6H4-C6H5 (1), C6H4-C6H4-I (2), C6H4-C6H4-NO2, (3), C6H3(NO2)-C6H4I (4)] and Fc-C C-R'-C C-R" [R" = Fc, R'= C6H4-C6H4 (5), C6H3(NO2)-C6H4 (6); R" = C6H5, R' = C6H4-C6H4 (7)] were synthesized from FcC CH and biphenyl iodides by the Castro-Stephens and Sonogashira coupling reactions, in which compounds 1, 2, 3, 4, 6 and 7 are new. Seven new complexes [Fc-C C-R][Co-2(CO)(6)] [R = C6H4-C6H5 (8), C6H4-C6H4-I (9), C6H4-C6H4-NO2, (10),C6H3(NO2)-C6H4I (11)] and [Fc-C C-R'-C C-R"] [Co-2(CO)(6)](2) [R" Fc, R'= C6H4-C6H4 (12), C6H3(NO2)-C6H4 (13); R" = C6H5, R'= C6H4-C6H4 (14)] were obtained by the reaction of the ligands Fc-C C-R and Fc-C C-R'-C C-R" with Co-2(CO)(8), respectively. Compounds 1-7 and their complexes 8-14 have been characterized by element analysis and spectroscopy, as well as by X-ray diffraction for 1, 4, 8, 9 and 11. The electrochemical data of compounds 1-12 have been obtained by cyclic voltarnmetry. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.02.023
• 作为产物：
  描述：

  二茂铁乙炔 、 4,4-二碘联苯 在 catalyst: Pd(PPh₃)2Cl₂/Cu(OAc)2 1:1 mixt. 作用下， 以 further solvent(s) 为溶剂， 以11%的产率得到4-iodo-4'-ferrocenylethynyl-biphenyl
  参考文献：
  名称：

  Studies on the synthesis, characterization and reactivity of new ferrocenylacetylenylbiphenyl derivatives

  摘要：

  A series of ferrocenylacetylenylbiphenyl derivatives Fc-C C-R [R = C6H4-C6H5 (1), C6H4-C6H4-I (2), C6H4-C6H4-NO2, (3), C6H3(NO2)-C6H4I (4)] and Fc-C C-R'-C C-R" [R" = Fc, R'= C6H4-C6H4 (5), C6H3(NO2)-C6H4 (6); R" = C6H5, R' = C6H4-C6H4 (7)] were synthesized from FcC CH and biphenyl iodides by the Castro-Stephens and Sonogashira coupling reactions, in which compounds 1, 2, 3, 4, 6 and 7 are new. Seven new complexes [Fc-C C-R][Co-2(CO)(6)] [R = C6H4-C6H5 (8), C6H4-C6H4-I (9), C6H4-C6H4-NO2, (10),C6H3(NO2)-C6H4I (11)] and [Fc-C C-R'-C C-R"] [Co-2(CO)(6)](2) [R" Fc, R'= C6H4-C6H4 (12), C6H3(NO2)-C6H4 (13); R" = C6H5, R'= C6H4-C6H4 (14)] were obtained by the reaction of the ligands Fc-C C-R and Fc-C C-R'-C C-R" with Co-2(CO)(8), respectively. Compounds 1-7 and their complexes 8-14 have been characterized by element analysis and spectroscopy, as well as by X-ray diffraction for 1, 4, 8, 9 and 11. The electrochemical data of compounds 1-12 have been obtained by cyclic voltarnmetry. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.02.023

文献信息

• Tris(trifluoromethyl)germyl biphenyl conjugated molecular system with ferrocenyl substituent: Confirmation of photoinduced intramolecular charge transfer to the germanium center
  作者：Nikolai L. Ermolaev、Georgy K. Fukin、Andrei S. Shavyrin、Mikhail A. Lopatin、Olga V. Kuznetsova、Denis I. Kryzhkov、Stanislav K. Ignatov、Evgeniy P. Chuhmanov、Nadezhda T. Berberova、Konstantin P. Pashchenko

  DOI：10.1016/j.jorganchem.2022.122535

  日期：2023.1

  calculate the optimized geometry of 21 in excited state, and two main bands in the emission spectrum at laser excitation (340 and 386 nm) an excellent fit to the experimental data. An additional data on the nature of the (CF3)3Ge group, including geometry, electronegativity, and contributions 4d AOs of germanium into lowest unoccupied molecular orbital (LUMO) in a wide range of fluorinated and non-fluorinated

  制备了具有三(三氟甲基)甲锗烷基乙炔基-C C-Ge(CF 3 ) 3和二茂铁乙炔基Fc-C C-取代基的不对称4,4'-联苯衍生物( 21 )，研究了其性质并与那些完全非-三甲基甲锗烷基乙炔基的氟化类似物 -C C-Ge(CH 3 ) 3化合物 ( 20 )。已经研究了这些锗和许多类似化合物 ( 15 - 17, 22 )在溶液中的紫外可见、吸收、稳态和时间分辨荧光光谱。证实了从 π 共轭系统到锗中心的光诱导电子转移过程21，以及较早前[19]首次发现的4-联苯-C C-Ge(CF 3 ) 3分子( 9 )。结果发现，处于激发态 (k CR2  = 1.2 × 10 5 s -1 ) 的自由基离子对21的寿命大约比9长一个数量级，这可以通过电子供体 Fc-C C-基团。密度泛函理论 (DFT) 计算用于计算21的优化几何形状处于激发态，激光激发（340 和 386 nm）发射光谱中的两个