fluorocarben | 13453-52-6

• 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: fluorocarben
• 英文别名: fluorocarben CHF, singlet
• CAS: 13453-52-6
• 化学式: CHF
• 分子量: 32.0173
• InChiKey: YUCFVHQCAFKDQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  2
• 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：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  fluorocarben 在 氨 作用下， 生成 carbon nitride
  参考文献：
  名称：

  氢，氮和氧与氟亚甲基自由基反应的气相原子自由基动力学

  摘要：

  DOI：

  10.1021/j100371a017
• 作为产物：
  描述：

  氟甲烷 以 solid matrix 为溶剂， 生成 fluorocarben
  参考文献：
  名称：

  Matrix‐Isolation Study of the Vacuum‐Ultraviolet Photolysis of Methyl Fluoride. The Infrared Spectra of the Free Radicals CF, HCF, and H₂CF

  摘要：

  Upon vacuum-ultraviolet photolysis of methyl fluoride in an argon or a nitrogen matrix at 14°K, the free radicals CF, HCF, and H2CF are stabilized in sufficient concentration for observation of their infrared absorption spectra. Studies utilizing carbon-13 and deuterium substitution confirm the identification of these species. Visible-ultraviolet absorption spectra of photolyzed Ar:CF3F samples include bands which may be assigned to CH, to CF, and to HCF. The reaction of carbon atoms, produced by the photolysis of cyanogen azide isolated in an argon matrix, with HF trapped in the matrix has also been found to lead to the stabilization of sufficient HCF for infrared spectroscopic detection. Reaction of HCF with a second molecule of HF to form CH2F2 also occurs. The force constants and thermodynamic properties of HCF have been calculated, and a partial vibrational assignment is proposed for H2CF. Although these experiments do not determine the primary photodecomposition processes important for methyl fluoride, there is evidence that both H atom and F atom detachment may occur under the conditions of these experiments.

  DOI：

  10.1063/1.1671548

文献信息

• Infrared chemiluminescence using a SISAM spectrometer. Reactions producing vibrationally excited HF
  作者：David Klenerman、I. W. M. Smith

  DOI：10.1039/f29878300243

  日期：——

  03 for the Nv distribution from the primary reaction F + H2O2→ HF(v⩽ 4)+ HO2. Only weak emission from HF(v= 5), and none from higher levels, could be detected under conditions where the secondary reaction, F + HO2→ HF(v⩽ 9)+ O2, should occur. It seems that this reaction does not populate the higher HF levels preferentially, probably because it proceeds via an (HOOF)+ complex. The HF(v) emission in the

  已使用SISAM（光谱干涉法选择振幅调制）来观察由F原子与H 2和H 2 O 2以及O原子与C 2 HF 3反应形成的振动激发的HF的红外化学发光。。在基于F + H实验2 →HF（v ⩽3）+ H，可以达成条件，其中初生相对振动人群可被确定为Ñ 3：Ñ 2：Ñ 1 = 0.31±0.03：0.48±0.03：0.21± 0.03，与之前的测量非常吻合。F + H上的类似测量2 ö 2系统得到Ñ 4： Ñ 3： Ñ 2： Ñ 1 = 0.15±0.03：0.25±0.03：0.31±0.03：0.30±0.03对Ñ v从初级反应分布函数F + H 2 ö 2 →HF（ v ⩽4）+ HO 2。只有从HF弱发射（ v = 5），并从较高水平的无，可以条件下检测，其中次级反应，F + HO 2 →HF（ v ⩽9）+ O 2，应会发生。似乎该反应没有优先占据较高的HF水平，可能是因为它是通过（
• The Elementary Reaction of CHF(X˜1A´) with Ozone
  作者：Walter Hack、B. Wagner、Karlheinz Hoyermann

  DOI：10.1524/zpch.2000.214.6.741

  日期：2000.1.1

  The reaction CHF(X

  k

  was obtained. No change in the rate constant was observed, substituting He by the quenchers N

  反应CHF（X）已经获得。在用淬灭剂N替代He时，没有观察到速率常数的变化。
• Laser-induced fluorescence of HCF and HCCl
  作者：Yuanwu Qiu、Shikang Zhou、Jiliang Shi

  DOI：10.1016/0009-2614(87)87304-9

  日期：1987.4

  We report the first observation of the laser-induced fluorescence excitation spectrum of the à 1A'(000)-X̃ 1A'(010) vibronic band of HCF and some subbands of the à 1A'(030) and à 1A'(040)-X̃ 1A'(000) vibronic bands of HCCl, using the technique of molecular beams.

  我们报告的A的激光诱导荧光激发光谱的第一观察1 A“（000）-X 1 A”（010）的HCF振动带和A的一些子带1 A'（030）和A 1个甲使用分子束技术，检测出HCCl的'（040）-X̃ 1 A'（000）振动带。
• Dissociations of Gas-Phase CHClF and CHCl₂ Radicals and Cations following Collisional Electron Transfer. A Variable-Time Neutralization−Reionization and ab Initio Study
  作者：Martin Sadílek、František Tureček

  DOI：10.1021/jp952416i

  日期：1996.1.1

  Variable-time neutralization−reionization mass spectrometry is used to generate CHClF• and CHCl2• radicals and to study their unimolecular dissociations within 0.4−4.1 μs. Loss of Cl• is a major dissociation of CHClF• following collisional neutralizations with di-n-butyl ether, chlorobenzene, di-n-butylamine, aniline, and N,N-dimethylaniline, which range from 0.28 eV endoergic to 1.7 eV exoergic in

  可变时间中和-电离质谱用于生成CHClF •和CHCl 2 •自由基，并研究它们在0.4-4.1μs内的单分子解离。在与二正丁基醚，氯苯，二正丁胺，苯胺和N，N-二甲基苯胺碰撞中和后，Cl •的丢失是CHClF •的主要离解，其内吸能范围从0.28 eV到外放能1.7 eV同一系列。H •的损失也会发生，而F •的损失以及HF和HCl的去除并不重要。CHClF +的解离CHClF •碰撞电离后的阳离子显示出HF和HCl的消除以及F •和Cl •的损失，其速率参数取决于中和目标的性质。CHCl 2自由基和离子都经历HCl的消除和Cl •的损失，其速率参数通过可变时间测量来区分。在理论的G2（MP2）级别从头算计算得出CHClF •中CH，CCl和CF的键解离能分别为307、333和465 kJ mol -1。消除HCl和HF具有最低的化学阈值217和225 kJ mol -1分别克服了激活障
• Products vibrational energy distributions in the O(3P) + CHF reaction
  作者：D.S.Y. Hsu、R.G. Shortridge、M.C. Lin

  DOI：10.1016/0301-0104(79)89002-3

  日期：1979.5

  The vibrational energy distributions of the HF and CO formed in flash-initiated SO2CHFX2 (X = Cl, Br) mixtures have been measured by laser emission and laser resonance absorption, respectively. Both excited products are believed to result mainly from the O(3P) + CHF reaction, which probably takes place via vibronically excited HFCO intermediates. The observed HF and CO vibrational energy distributions

  形成在闪光发起SO HF和CO的振动能量分布2 CHFX 2（X =氯，溴）的混合物分别通过激光发射和激光共振吸收，已被测定。据信这两种激发产物主要是由O（3 P）+ CHF反应产生的，该反应很可能是通过被纤维激发的HFCO中间体发生的。基于以下简化机制的简单统计模型可以令人满意地说明观测到的HF和CO振动能量分布：O（3 P）+ CHF（X̃ 1 A'）→[ 3 HFCO *†]→[ 1 HFCO†] →HF†+ CO†+≈190大卡/摩尔