1-[(η5-cyclopentadienyl)dicarbonyliron]-1,12-dicarba-closo-dodecaborane | 372968-08-6

• 英文名称: 1-[(η5-cyclopentadienyl)dicarbonyliron]-1,12-dicarba-closo-dodecaborane
• 英文别名: 1-(η5-CpFe(CO)2)-1,12-C2B10H11
• CAS: 372968-08-6
• 化学式: C₉H₁₆B₁₀FeO₂
• 分子量: 320.182
• InChiKey: KFYPBHZZAAMLCV-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-[(η5-cyclopentadienyl)dicarbonyliron]-1,12-dicarba-closo-dodecaborane 、 三苯基膦 以 苯 为溶剂， 以97%的产率得到1-[(η5-cyclopentadienyl)(triphenylphosphine)carbonyliron]-1,12-dicarba-closo-dodecaborane
  参考文献：
  名称：

  Metal−Metal Communication through Carborane Cages Supporting Electroactive [η⁵-CpFe(CO)₂] Substituents

  摘要：

  A family of eta(5)-CpFe(CO)(2)-substituted closo-carboranes was synthesized and characterized, including cyclic voltammetry measurements. Like the previously reported bimetallic compound 1,12-[eta(5)-CpFe(CO)(2)](2)-1,12-C2B10H10 (8), 1,10-[eta(5)-CpFe(CO)(2)](2)-1,10-C2B8H8 (9) produces two dissimilar and irreversible one-electron oxidations within the same range, suggesting that it also exhibits through-cage electronic communication between iron centers. Structures determined by X-ray diffraction studies are reported for 1-[eta(5)-CpFe(PPh3)(CO)]-1,12-C2B10H11 (5), 1,12-[eta(5)-CpFe(CO)(2)](2)-1,12-C2B10H10 (8), and 1,10-[eta(5)-CpFe(CO)(2)](2)-1,10- C2B8H8(9).

  DOI：

  10.1021/om030514h
• 作为产物：
  描述：

  二氯四吡啶铁(II) 、 1,12-dicarba-closo-dodecaborane(12) 在 n-BuLi 作用下， 以 乙醚 、 正己烷 为溶剂， 以69%的产率得到1-[(η5-cyclopentadienyl)dicarbonyliron]-1,12-dicarba-closo-dodecaborane
  参考文献：
  名称：

  Metal−Metal Communication through Carborane Cages Supporting Electroactive [η⁵-CpFe(CO)₂] Substituents

  摘要：

  A family of eta(5)-CpFe(CO)(2)-substituted closo-carboranes was synthesized and characterized, including cyclic voltammetry measurements. Like the previously reported bimetallic compound 1,12-[eta(5)-CpFe(CO)(2)](2)-1,12-C2B10H10 (8), 1,10-[eta(5)-CpFe(CO)(2)](2)-1,10-C2B8H8 (9) produces two dissimilar and irreversible one-electron oxidations within the same range, suggesting that it also exhibits through-cage electronic communication between iron centers. Structures determined by X-ray diffraction studies are reported for 1-[eta(5)-CpFe(PPh3)(CO)]-1,12-C2B10H11 (5), 1,12-[eta(5)-CpFe(CO)(2)](2)-1,12-C2B10H10 (8), and 1,10-[eta(5)-CpFe(CO)(2)](2)-1,10- C2B8H8(9).

  DOI：

  10.1021/om030514h

文献信息

• Synthesis and Luminescence Spectroscopy of a Series of [η⁵-CpFe(CO)₂] Complexes Containing 1,12-Dicarba-<i>closo</i>-dodecaboranyl and -ylene Ligands
  作者：Theodore W. Bitner、Timothy J. Wedge、M. Frederick Hawthorne、Jeffrey I. Zink

  DOI：10.1021/ic010516z

  日期：2001.10.1

  Three new cyclopentadienyliron dicarbonyl compounds, 1-[eta (5)-CpFe(CO)(2)]-1,12-C2B10H11, 1-[[eta (5)-CpFe(CO)(2)]-1,12-C2B10H10-12-yl](2)Hg, and 1,12-[eta (5)-CpFe(CO)(2)](2)-1,12-C2B10H10, composed of 1,12-dicarba-closo-dodecaborane as a ligand precursor were synthesized and found to be luminescent. The uncoordinated 1,12-C2B10H12 bridging ligand precursor is luminescent with a band maximum at 25180 cm(-1), while the iron complexes luminesce at lower energies in the range 13120-14210 cm(-1). The lowest energy excited electronic state in the iron complexes is assigned to a ligand field transition of the iron chromophore. Cyclic voltammetry of l,12-[eta (5)-CpFe(CO)(2)](2)-1,12-C2B10H10 displays two discrete one-electron oxidations, and. the luminescence maximum is red shifted from that observed in 1-[eta (5)-CpFe(CO)(2)]-1,12-C2B10H11. Both of these observations suggest that the iron-centered chromophores are weakly coupled. In contrast, the 1-[[eta (5)-CpFe(CO)(2)]-1,12-C2B10H10-12-yl](2)Hg complex is uncoupled as is evident from the single oxidation process observed with cyclic voltammetry. The extinction coefficient of 1,12-[eta (5)-CpFe(CO)(2)](2)-1,12-C2B10H10 is six times that of 1-[eta (5)-CpFe(CO)(2)]-1,12-C2B10H11, while the extinction coefficient of 1-[[eta (5)-CpFe(CO)(2)]-1,12-C2B10H10-12-yl](2)Hg is only twice that of 1-[eta (5)-CpFe(CO)(2)]-1,12-C2B10H11. These spectroscopic properties are explained in terms of two coupled antiparallel transition dipole moments.