Cyclopentadienyldifluorphosphin | 36917-22-3

• 分子结构分类: 有机化合物 - 有机磷化合物 - 烷基卤代膦
• 英文名称: Cyclopentadienyldifluorphosphin
• 英文别名: 1-Cyclopentadienyl-difluorphosphan；Difluoro-cyclopentadienylphosphin；5-cyclopentadienyldifluorophosphine；Phosphonous difluoride, 2,4-cyclopentadien-1-yl-；cyclopenta-2,4-dien-1-yl(difluoro)phosphane
• CAS: 36917-22-3
• 化学式: C₅H₅F₂P
• 分子量: 134.065
• InChiKey: QNGSQKQVCDPOTA-UHFFFAOYSA-N

物化性质

• 沸点：
  138.8±43.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Cyclopentadienyldifluorphosphin 、 gold(I) chloride 以 苯 为溶剂， 以37%的产率得到
  参考文献：
  名称：

  Übergangsmetall-trifluormethyl-komplexe: Erste trifluormethyl-komplexe von gold mit fluorphosphan-liganden

  摘要：

  New complexes of the type F(2)RPAuCF(3) (R = (t)Bu, NEt(2), NMe(2), Ph, Cp, F) (I-VI) have been prepared in good yield and characterized fully. Gold(I)chloride reacts with the corresponding fluorphosphine in an organic solvent leading to the chloro-fluorophosphine compounds F(2)RPAuCl (R = (t)Bu, NEt(2), NMe(2), Ph, Cp, F) (VII-XII). These react in a second step with Cd(CF3)(2) yielding the corresponding trifluormethyl-fluorphosphine complexes (I-VI). Following this route trifluormethyl(trifluorophosphine)gold(I), F3PAuCF3 (VI), was prepared. Although it is thermally unstable this compound was successfully characterized by mass spectrometry. The compositions and structures of the other complexes were determined by elemental analyses, IR, AAS (VII-XI), H-1-, F-19- and P-31-NMR spectroscopies and mass spectometry (I-XI).

  DOI：

  10.1016/0022-328x(95)05637-5
• 作为产物：
  描述：

  potassium cyclopentadienide 在 chlorodifluorophosphine 作用下， 生成 Cyclopentadienyldifluorphosphin
  参考文献：
  名称：

  某些σ-环戊二烯的光电子能谱和通量行为

  摘要：

  显示出在σ-环戊二烯5-RC 5 H 5（R = H，CH 3，SiH 3，GeH 3或SiF 3）中的通量行为与两个光电子能带的相对位置之间存在密切相关性。环π键电子。对于R = PF 2和SiCl 3，必须考虑第二个环能级与R的非键轨道之间的相互作用。有人建议，该fluxional行为从R-C的相互作用产生5与对称环π键的水平，这是那些表现出快速fluxional行为化合物中最大的σ键合的水平。

  DOI：

  10.1039/dt9750000390

文献信息

• Heuer, Lutz; Bode, Ulrike K.; Jones, Peter G., Zeitschrift fur Naturforschung, B: Chemical Sciences, 1989, vol. 44, # 9, p. 1082 - 1092
  作者：Heuer, Lutz、Bode, Ulrike K.、Jones, Peter G.、Schmutzler, Reinhard

  DOI：——

  日期：——
• Übergangsmetall-trifluormethyl-komplexe: Erste trifluormethyl-komplexe von gold mit fluorphosphan-liganden
  作者：Andreas Gräfe、Thomas Kruck

  DOI：10.1016/0022-328x(95)05637-5

  日期：1996.1

  New complexes of the type F(2)RPAuCF(3) (R = (t)Bu, NEt(2), NMe(2), Ph, Cp, F) (I-VI) have been prepared in good yield and characterized fully. Gold(I)chloride reacts with the corresponding fluorphosphine in an organic solvent leading to the chloro-fluorophosphine compounds F(2)RPAuCl (R = (t)Bu, NEt(2), NMe(2), Ph, Cp, F) (VII-XII). These react in a second step with Cd(CF3)(2) yielding the corresponding trifluormethyl-fluorphosphine complexes (I-VI). Following this route trifluormethyl(trifluorophosphine)gold(I), F3PAuCF3 (VI), was prepared. Although it is thermally unstable this compound was successfully characterized by mass spectrometry. The compositions and structures of the other complexes were determined by elemental analyses, IR, AAS (VII-XI), H-1-, F-19- and P-31-NMR spectroscopies and mass spectometry (I-XI).
• Photoelectron spectra and fluxional behaviour in some σ-cyclopentadienes
  作者：Stephen Cradock、E. A. V. Ebsworth、Hans Moretto、David W. H. Rankin

  DOI：10.1039/dt9750000390

  日期：——

  is shown to exist between fluxional behaviour in the σ-cyclopentadienes 5-RC5H5(R = H, CH3, SiH3, GeH3, or SiF3) and the relative positions of the two photoelectron bands due to the ring π-bonding electrons. For R = PF2 and SiCl3 interactions between the second ring level and non-bonding orbitals of R have to be taken into account. It is suggested that the fluxional behaviour arises from interaction

  显示出在σ-环戊二烯5-RC 5 H 5（R = H，CH 3，SiH 3，GeH 3或SiF 3）中的通量行为与两个光电子能带的相对位置之间存在密切相关性。环π键电子。对于R = PF 2和SiCl 3，必须考虑第二个环能级与R的非键轨道之间的相互作用。有人建议，该fluxional行为从R-C的相互作用产生5与对称环π键的水平，这是那些表现出快速fluxional行为化合物中最大的σ键合的水平。