fc[Se(CH2)3Br]2 | 1220634-58-1

• 英文名称: fc[Se(CH2)3Br]2
• 英文别名: 1,1'-bis(3-bromopropylseleno)ferrocene；fc[Se(CH₂)₃Br]₂；Fe(η5-C5H4)2(Se(CH2)3Br)2
• CAS: 1220634-58-1
• 化学式: C₁₆H₂₀Br₂FeSe₂
• 分子量: 585.91
• InChiKey: WQRSCIGFDOYSOQ-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：

  1,3-bis(selenocyanato)propane 、 fc[Se(CH2)3Br]2 在 NaBH₄ 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 以58%的产率得到1,5,9,13-tetraselena[13]ferrocenophane
  参考文献：
  名称：

  1,5,9,13-四碳烯[13]二茂铁碳烷：合成，络合，晶体学和电化学研究†

  摘要：

  一种新颖的大环 二茂铁， 1,5,9,13-四硒[13]二茂铁（L）被合成。的反应大号用[M（NCMe）4 ]（PF 6）2（M =钯 和 铂）或[Cu（NCMe）4 ]（PF 6）导致络合物[M L ]（PF 6）2（M =钯 和 铂）或[Cu L ]（PF 6）。这银（I）阳离子由于其较大的离子半径而诱导形成一维聚合物{[Ag L ]（PF 6）} n。L及其四个配合物的结构已经通过X射线晶体学确定。电化学研究表明，[M L ]（PF 6）2（M =钯 和 铂），由于两种金属之间的强烈的空间相互作用，因此1,1'-二茂铁基的半波电势转移到了更大的正电势（M⋯铁）。

  DOI：

  10.1039/c0dt00367k
• 作为产物：
  描述：

  1,2,3-triselena[3]ferrocenophane 、 1,3-二溴丙烷 在 NaBH₄ 作用下， 以 乙醇 为溶剂， 以50%的产率得到fc[Se(CH2)3Br]2
  参考文献：
  名称：

  Two novel macrocyclic polyselenaferrocenophanes: Synthesis, crystal structures and electrochemical study

  摘要：

  Two novel macrocyclic polyselenaferrocenophanes, 1,5,9-triselena[9]ferrocenophane (1) and 1,5,9,21,25,29-hexaselena[9.9]ferrocenophane (2). have been prepared by the reaction of 1,1'-bis(3-bromopropylseleno)ferrocene and Na(2)Se. The new compounds have been characterized by a range of spectroscopic and analytical techniques, including (1)H, (13)C NMR spectrometry and X-ray crystallography. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2009.06.035

文献信息

• Synthesis and Study of Three Novel Macrocyclic Selena[<i>n</i>]ferrocenophanes Containing a Naphthalene Unit
  作者：Wei Ji、Su Jing、Zeyu Liu、Jing Shen、Jing Ma、Dunru Zhu、Dengke Cao、Limin Zheng、Minxia Yao

  DOI：10.1021/ic302628y

  日期：2013.5.20

  Three novel macrocyclic ligands, L1-L3, in which a ferrocene unit and a fluorescent moiety are linked to polyselena rings have been designed and prepared from 1,1'-bis(3-bromopropylseleno)ferrocene. Reaction of L with [M(NCMe)(4)](PF6)(2) (M = Pd and Pt) led to complexes [ML](PF6)(2) (M = Pd and Pt). Crystal structure analysis revealed that after complexation, the macrocyclic ligand adopts the unusual c,c,c conformation due to intramolecular C-H center dot center dot center dot pi interactions from the hydrogen atoms of ferrocene moieties to the naphthalene ring. Electrochemical studies showed that in [ML] (PF6)(2) (M = Pd and Pt) the half-wave potential of the 1,1'-ferrocenediyl group shifts to much more positive potentials due to electron density withdrawn from Se donor atoms. Electrochemical and optical measurements were used to calculate HOMO and LUMO levels as well as HOMO-LUMO band gaps. Results were compared and correlated with the differences in molecular structures.
• Synthesis, complexation and electrochemical study of 1,13-diselena-5,9-dithia[13]ferrocenophane: Crystal structures of [ML](PF6)2 (M=Pd, Pt)
  作者：Yan-Zhi Qin、Wei Ji、Fei Xiao、Xin Zhang、Su Jing

  DOI：10.1016/j.inoche.2012.03.002

  日期：2012.6

  A mixed donor macrocyclic ferrocenophane, 1,13-diselena-5,9-dithia[13]ferrocenophane (L), was synthesized. Reaction of L with [M(NCMe)(4)](PF6)(2) (M = Pd, Pt) led to complexes [ML](PF6)(2) (M = Pd, Pt). The structures of two complexes have been determined by X-ray crystallography. Cyclic voltammetry shows that, in [ML](PF6)(2) (M = Pd, Pt), the half-wave potential of the 1,1'-ferrocenediyl group shifts to much more positive potentials due to the strong through-space interaction between the two metals (Fe center dot center dot center dot M) and sulfur atoms. (C) 2012 Elsevier BM. All rights reserved.