monofluorosilylene | 83892-33-5

• 英文名称: monofluorosilylene
• CAS: 83892-33-5
• 化学式: FHSi
• 分子量: 49.0839
• InChiKey: CALKZXORPAWAFP-VMNATFBRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.23
• 重原子数：
  2.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  trifluorosilane-d 以 gaseous matrix 为溶剂， 生成 monofluorosilylene
  参考文献：
  名称：

  喷射冷却的 HSiF 和 DSiF 的单振动能级发射光谱

  摘要：

  利用单振动能级发射光谱技术，研究了喷射冷却的 HSiF 和 DSiF 的基态振动流形。使用三氟硅烷（HSiF3 或 DSiF3）作为前体，在脉冲放电射流中产生自由基。首次确定了两种同位素的气相基态谐波振动频率。使用振动频率和文献值对离心变形常数进行法向坐标分析可以确定所有六个基态力常数。我们之前的基态旋转常数与计算出的对 α 常数的谐波贡献相结合，以获得平均 (rz) 结构和平衡 (rez) 结构的估计。

  DOI：

  10.1063/1.1374956

文献信息

• Pulsed discharge jet spectroscopy of DSiF and the equilibrium molecular structure of monofluorosilylene
  作者：Warren W. Harper、David A. Hostutler、Dennis J. Clouthier

  DOI：10.1063/1.473484

  日期：1997.3.15

  The jet-cooled laser induced fluorescence excitation spectrum of the Ã 1A′′−X̃ 1A band system of DSiF has been observed using the pulsed discharge jet technique. Vibrational analysis of the spectrum yielded upper state harmonic vibrational frequencies of ω1=1322, ω2=444, and ω3=867 cm−1. Vibronic bands involving all of the upper state fundamentals of HSiF and DSiF have now been rotationally analyzed, allowing a determination of the excited state equilibrium structure as re′(SiH)=1.526±0.014 Å, re′(SiF)=1.597±0.003 Å, and θe′(HSiF)=115.0±0.6°. The harmonic frequencies and centrifugal distortion constants were used to obtain harmonic force fields and average (rz) structures for the ground and excited states. The ground state average structure was used to estimate the equilibrium structure of re″(SiH)=1.528±0.005 Å, re″(SiF)=1.603±0.003 Å, and θe″(HSiF)=96.9±0.5°.
• Matrix isolation studies of the reactions of silicon atoms. II. Infrared spectrum and structure of matrix‐isolated fluorosilylene: HSiF
  作者：Zakya Kafafi Ismail、Leif Fredin、Robert H. Hauge、John L. Margrave

  DOI：10.1063/1.444083

  日期：1982.8.15

  Silicon spontaneously reacts with HF and DF to form the molecules HSiF and DSiF in solid argon. Photolysis of the matrix during deposition greatly enhances the yield of these products. Frequencies for the three infrared active modes of HSiF and DSiF have been accurately measured. The force field of this triatomic molecule has been fully determined through normal coordinate analyses. Thermodynamic functions for the fluorosilylene have been calculated.