| 75503-04-7

• CAS: 75503-04-7
• 化学式: FS₂
• 分子量: 83.1304
• InChiKey: ZKQYIGRPWMWQEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.42
• 重原子数：
  3.0
• 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：
  1.0

反应信息

• 作为产物：
  描述：

  六氟化硫 生成
  参考文献：
  名称：

  Microwave spectrum of the FS₂ radical in the ground electronic X̃ ²A″ state

  摘要：

  The FS2 radical has been detected in the glow discharge of the SF6 gas by microwave spectroscopy. Both a-type and b-type rotational transitions with the fine and hyperfine structure were observed in the millimeter-wave range of 120–185 GHz. The least-squares analysis for the 440 line frequencies led to the determination of the rotational constants, the centrifugal distortion constants, the spin-rotation interaction constants with the centrifugal distortion corrections, and the hyperfine interaction constants. Especially, the off-diagonal constants (εab+εba)/2 and Tab were determined in good precision because some nearly degenerate energy levels were mixed strongly by the off-diagonal spin-rotation interaction, which separated the energy levels up to 3 GHz and even induced the forbidden transitions to be observed strongly. The spin density on the fluorine atom and the chemical bond moments were derived for FS2, and the possible signs of Tab and (εab+εba)/2 were discussed. The behaviors of the FS2 radical and other related transient species in the SF6-discharge system were compared by using the corresponding rotational transitions observed in the microwave spectra.

  DOI：

  10.1063/1.471652

文献信息

• Spectroscopic detection and characterization of the FS2 free radical
  作者：Q. Zhuo、J. Karolczak、Dennis J. Clouthier

  DOI：10.1063/1.467074

  日期：1994.5.1

  An extensive vibronic band system of the FS2 radical in the 700–485 nm region has been observed for the first time by laser-induced fluorescence (LIF) probing of the products of the reaction of F2 with various sulfur-containing compounds. Jet-cooled spectra were obtained by reacting fluorine with COS, H2S, or CS2 in the body of a continuous supersonic jet, just prior to expansion. Vibrational analysis of the jet spectra gives ν1′ = 768, ν2′ = 217, ν3′ = 495, ν1″ = 705, ν2″ = 293, ν3″ = 684, and T00=14 922 cm−1, all in good agreement with ab initio predictions for the FS2 free radical. A rotational analysis of the high-resolution spectrum of the 350 band shows that the transition is polarized out-of-plane, with spin splittings characteristic of a molecule with a single unpaired electron. The rotational constants and spin–rotation interaction constants were determined with good precision for the ground and excited states. By combining the rotational constants with our ab initio estimates of the S–F bond length, the following structural parameters were obtained: r(S–F)=1.651 Å, r(S–S)=1.865(5) Å, and θ(FSS)=109.1(1)° for the X̃ 2A″ state and r(S–F)=1.642 Å, r(S–S)=2.105(5) Å, and θ(FSS)=97.6(1)° for the Ã 2A′ state.