fluoroformyl radical | 1871-24-5

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 有机氟化物
• 英文名称: fluoroformyl radical
• 英文别名: Fluorocarbonyl
• CAS: 1871-24-5
• 化学式: CFO
• 分子量: 47.0088
• InChiKey: CJXGPJZUDUOZDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  3
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  fluoroformyl radical 在 氧气 作用下， 生成
  参考文献：
  名称：

  Temperature dependent kinetics of the formation and self‐reactions of FC(O)O₂ and FC(O)O radicals

  摘要：

  This paper presents the ultraviolet (UV) absorption spectrum of FC(O)O2 and the temperature dependent rate constants for its formation via the addition of O2 to FCO, its self-reaction to form FC(O)O, and for the subsequent dimerization of FC(O)O. The UV spectrum of FC(O)O2 shows two absorption bands in the 190–300 nm range. The lower energy band has a peak cross section of (3.0±0.3)×10−18 cm2 at 232 nm. A higher energy band begins at ∼210 nm and reaches an absorption cross section of 4.3×10−18 cm2 at 190 nm. The FC(O)O2 self-reaction exhibits a negative temperature dependence with k2(T)=(2.5±0.4)×10−12 e(286±40)/T cm3 s−1 over the 213–358 K temperature range. The oxygen addition to FCO has a rate constant of k1=(8.0±0.8)×10−13 cm3 s−1 and the FC(O)O dimerization rate constant is in the range k3a=(2.3–6.5)×10−12 cm3 s−1, at 293 K and 300 Torr total pressure. Both of these rate constants show little variation over the 213–358 K temperature range.  

  DOI：

  10.1063/1.464383
• 作为产物：
  描述：

  硫酰氟 在 一氧化碳 作用下， 生成 fluoroformyl radical
  参考文献：
  名称：

  Electron Spin Resonance Spectrum of FCO

  摘要：

  The electron spin resonance spectrum of the fluoroformyl radical (FCO) has been observed at 4.2°K in solid carbon monoxide. The radical was prepared by reaction between the CO matrix and fluorine atoms produced by in situ photolytic dissociation of fluorine oxide (OF2). The fluorine hyperfine splitting of FCO is very large and approximately axially symmetric: A1/h=1437.5, A2/h=708.2, and A3/h=662.0 Mc/sec. The large hyperfine splitting results from spin polarization of an exceptionally weak CF bond, and is consistent with the theory for the proton hyperfine interaction in HCO. This implies that FCO, like HCO, is a sharply bent molecule in which the unpaired electron occupies an in-plane or σ orbital, a conclusion which is in agreement with theoretical predictions.

  DOI：

  10.1063/1.1696764

文献信息

• Thermally Persistent Fluorosulfonyl Nitrene and Unexpected Formation of the Fluorosulfonyl Radical
  作者：Xiaoqing Zeng、Helmut Beckers、Helge Willner

  DOI：10.1021/ja312073w

  日期：2013.2.13

  persistent triplet sulfonyl nitrene, FSO(2)N, was produced in the gas phase in high yields (up to 66%) by flash vacuum pyrolysis of FSO(2)N(3). Surprisingly, no rearrangement of FSO(2)N was observed, but the long-sought radical FSO(2) (22%) and traces of SO(2) (3%) were identified by IR ((15)N, (18)O, (34)S) spectroscopy. The photoinduced Curtius rearrangement of the nitrene to FNSO(2) was observed in

  通过快速真空热解 FSO(2)N(3)，在气相中以高产率（高达 66%）生产热持久性三重磺酰氮烯 FSO(2)N。令人惊讶的是，没有观察到 FSO(2)N 的重排，但是通过 IR ((15)N, (18) 确定了长期寻找的自由基 FSO(2) (22%) 和 SO(2) (3%) 的痕迹)O, (34)S) 光谱学。在固体惰性气体基质中观察到氮烯到 FNSO(2) 的光致 Curtius 重排，并研究了氮烯与 O(2)、NO 和 CO 的反应。
• Kinetics of the recombination reaction between F atoms and FCO radicals
  作者：C.J. Cobos、A.E. Croce、E. Castellano

  DOI：10.1016/0009-2614(95)00483-k

  日期：1995.6

  The laser flash photolysis-absorption technique has been used to study the F + FCO + M → CF2O + M recombination reaction between 20 and 700 Torr of M = CF4 at 296 K. The values krec,0 = (5.6 ± 1.2) × 10−29 [CF4] cm3 molecule−1 s−1 and krec,∞ = (7.9 ± 1.1) × 10−11 cm3 molecule−1 s−1 were determined by extrapolation of the fall-off curve. An analysis of krec,0 with respect to energy-transfer properties

  已使用激光闪光光解吸收技术研究了在296 K时M = CF 4的20和700 Torr之间的F + FCO + M→CF 2 O + M重组反应。值k rEC，0 =（5.6± 1.2）×10 -29 [CF 4 ]厘米3分子-1小号-1和ķ REC，∞ =（7.9±1.1）×10 -11厘米3分子-1小号-1是由掉落的外推法确定曲线。已经进行了关于能量传递特性的k rEC，0的分析。实测k rEC，∞值与简化的统计绝热通道模型的预测合理地吻合。对于FCO + FCO→CF 2 O + CO反应，确定了（2.0±0.2）×10 -11 cm 3分子-1 s -1的速率系数。
• The near ultraviolet spectrum of the FCO radical: Re-assignment of transitions and predissociation of the electronically excited state
  作者：Wendy H. Howie、Ian C. Lane、Andrew J. Orr-Ewing

  DOI：10.1063/1.1313541

  日期：2000.11

  ring-down spectra of the FCO radical, recorded over the wave number range 29 500–31 600 cm−1 reveal rotational structure of the electronically excited state for the first time. The spectra demonstrate the need for a complete re-assignment of the vibronic features: The rotationally resolved bands are successfully simulated as arising from c-type transitions from the ground X 2A′ state to the linear 2A″ component

  在 29 500-31 600 cm-1 的波数范围内记录的 FCO 自由基的腔衰荡光谱首次揭示了电子激发态的旋转结构。光谱表明需要对振动特征进行完全重新分配：旋转分辨带被成功模拟为从基态 X 2A' 态到 A 2Π 态的线性 2A'' 分量的 c 型跃迁所产生的。这些带归因于两个重叠的振动级数：一个级数涉及 F-C-O 弯曲模式 (v3') 的激发，另一个包括 v3' 和一个 C-F 拉伸量子 (v2') 的组合. 仅在 K'=0 的子带中观察到尖锐的旋转结构；K'> 0 的条带是扩散的，表明快速、旋转诱导的预解离。乐队起源，激发态的旋转常数和光谱线宽是从 K'=0–K"=1 子带推导出来的。所有旋转线都有些加宽，并且有证据表明...
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.C2, 1.10.4, page 150 - 150
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• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: C: MVol.C2, 1.9.4, page 146 - 147
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