[((η2-1,2-bis(diphenylphosphino)ethane)(η5-C5Me5)FeC=CH-1,4-C6H4C.ident.CC6H5]PF6 | 863992-21-6

• 英文名称: [((η2-1,2-bis(diphenylphosphino)ethane)(η5-C5Me5)FeC=CH-1,4-C6H4C.ident.CC6H5]PF6
• 英文别名: [((η2-dppe)(η5-C5Me5)FeC=CH-1,4-C6H4C.ident.CC6H5]PF6
• CAS: 863992-21-6
• 化学式: C₅₂H₄₉FeP₂*F₆P
• 分子量: 936.72
• InChiKey: ARIWOHZNIASDHJ-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：
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• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  [((η2-1,2-bis(diphenylphosphino)ethane)(η5-C5Me5)FeC=CH-1,4-C6H4C.ident.CC6H5]PF6 在 potassium tert-butoxide 作用下， 以 四氢呋喃 为溶剂， 以81%的产率得到[(η2-dppe)(η5-C5Me5)FeC.ident.C-1,4-C6H4C.ident.CC6H5]
  参考文献：
  名称：

  Third-Order Nonlinear Optical Properties of Some Electron-Rich Iron Mono- and Trinuclear Alkynyl Complexes

  摘要：

  The syntheses of [1,3,5-{eta(2)-dppe)(eta(5)-C5Me5)FeC C-4-C6H4C C}(3)C6H3] (1) and [(eta(2)-dppe)- (eta(5)-C5Me5)Fe(C C-1,4-C6H4C CPh)] (2) are reported, together with an X-ray diffraction study of 2. The linear optical spectra of these compounds reveal characteristic low-energy transitions at 430 and 436 nm, respectively, significantly red shifted in comparison to those recorded for [1,3,5-1(eta(5)-dppe)(eta(5)-C5Me5)FeC C}(3)C6H3] (3) and [(eta(2)-dppe)(eta(5)-C5Me5)FeC CPh] (4), respectively. Cubic nonlinear optical response data for 1, 2, and 4 are reported. Cubic molecular nonlinearities by Z-scan at 695 nm reveal an increase in nonlinearities upon introduction of the ligated metal unit and progression from linear monometallic complex to octupolar trimetallic complex. Oxidation of 1 to 1(3+) results in a change of sign and magnitude of the imaginary (absorptive) part of the third-order nonlinearity; that is, the molecule can be electrochemically cycled between two-photon absorber and saturable absorber states.

  DOI：

  10.1021/om050030g
• 作为产物：
  描述：

  ammonium hexafluorophosphate 、 [(η2-1,2-bis(diphenylphosphino)ethane)(η5-C5Me5)FeCl]*Et2O 、 4-乙炔基二苯乙炔 以 四氢呋喃 、 甲醇 为溶剂， 以92%的产率得到[((η2-1,2-bis(diphenylphosphino)ethane)(η5-C5Me5)FeC=CH-1,4-C6H4C.ident.CC6H5]PF6
  参考文献：
  名称：

  Third-Order Nonlinear Optical Properties of Some Electron-Rich Iron Mono- and Trinuclear Alkynyl Complexes

  摘要：

  The syntheses of [1,3,5-{eta(2)-dppe)(eta(5)-C5Me5)FeC C-4-C6H4C C}(3)C6H3] (1) and [(eta(2)-dppe)- (eta(5)-C5Me5)Fe(C C-1,4-C6H4C CPh)] (2) are reported, together with an X-ray diffraction study of 2. The linear optical spectra of these compounds reveal characteristic low-energy transitions at 430 and 436 nm, respectively, significantly red shifted in comparison to those recorded for [1,3,5-1(eta(5)-dppe)(eta(5)-C5Me5)FeC C}(3)C6H3] (3) and [(eta(2)-dppe)(eta(5)-C5Me5)FeC CPh] (4), respectively. Cubic nonlinear optical response data for 1, 2, and 4 are reported. Cubic molecular nonlinearities by Z-scan at 695 nm reveal an increase in nonlinearities upon introduction of the ligated metal unit and progression from linear monometallic complex to octupolar trimetallic complex. Oxidation of 1 to 1(3+) results in a change of sign and magnitude of the imaginary (absorptive) part of the third-order nonlinearity; that is, the molecule can be electrochemically cycled between two-photon absorber and saturable absorber states.

  DOI：

  10.1021/om050030g