| 223448-80-4

• 分子结构分类: 无机化合物 - 均质非金属化合物
• CAS: 223448-80-4
• 化学式: Ar*HS
• 分子量: 73.0219
• InChiKey: ITTVLXCJGOKHIU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.38
• 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：
  1.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  硫化氢 、 氩 以 gaseous matrix 为溶剂， 生成
  参考文献：
  名称：

  Electronic spectroscopy of the R⋅SH (R=Ne, Ar, Kr) complexes

  摘要：

  The laser induced fluorescence spectra of the thiohydroxyl radical inert gas complexes, R⋅SH (R=Ne, Ar, and Kr) are reported. The spectra of numerous isotopomers involving S32, S34, Kr84, Kr86, H1, and H2 have been observed. By using isotopic shifts of the heavy atoms, and other observations, the overwhelming majority of the 60 observed vibronic transitions have been assigned as originating from the vibrationless level of the X̃ Π2 state and terminating on specific vibrational levels (vSH, vbk, vs) of the Ã Σ+2 state, where nominally vs is the R-SH stretch, vSH is the SH monomer stretch, and vbk is the bending vibration. Vibrational frequencies, ωe, and anharmonicities, ωexe, for many of the modes are obtained, as well as dissociation energies (assuming a simple model) for both the à and X̃ states of the R⋅SH complexes.

  DOI：

  10.1063/1.474716

文献信息

• On the efficient generation of Arn–SH free-radical clusters via ultraviolet photolysis of closed-shell Arn–H2S complexes
  作者：S. R. Mackenzie、O. Votava、J. R. Fair、D. J. Nesbitt

  DOI：10.1063/1.478410

  日期：1999.3.15

  Detailed investigations are described for the generation of open-shell radical complexes formed by unimolecular photolysis of closed-shell van der Waals precursors. As a specific test case, ultraviolet photolysis of slit-jet cooled Arn–H2S (n⩽2) complexes at both 248 and 193 nm are shown to yield Ar–SH and Ar2–SH radical cluster species with surprisingly high efficiencies. Analysis of the laser induced fluorescence (LIF) spectra indicates that the radical complexes are produced with extensive van der Waals stretch/bend and overall rotational excitation, which is consistent with a simple ballistic model of the dissociation dynamics. The LIF spectra obtained as a function of expansion distance downstream provide clear evidence for remarkably efficient cooling of the newly formed radical cluster species by low-energy collisions with jet-cooled inert gas atoms at ≈10 K. Spectrally resolved Ar–SH and Ar2–SH LIF signals have been investigated as a function of Ar composition, which yields information on relative branching ratios for fragmentary (e.g., Ar2–H2S→Ar–SH+H+Ar) and nonfragmentary (e.g., Ar2–H2S→Ar2–SH+H) photolysis events.
• High resolution electronic spectroscopy of the R⋅SH complexes (R= Ne, Ar, Kr)
  作者：Christopher C. Carter、Terry A. Miller

  DOI：10.1063/1.474717

  日期：1997.9

  The high resolution laser induced fluorescence spectra of the Ã 2Π3/2 electronic transition of the R⋅SH/D (R= Kr, Ar, Ne) van der Waals (vdW) complexes are reported. Analysis of these bands requires the inclusion of rotation, fine and hyperfine structure, spin-rotation interactions, and parity splittings. A number of molecular parameters are determined, along with internuclear bond distances between the R and the SH moiety. Comparison of the present results for R⋅SH/D is made with the analogous R⋅OH/D species where applicable. In addition, the detailed “rotational” structure and the highly precise determinations of the band origins of the different heavy atom isotopomers are critical for absolute vibrational quantum number assignment in the à state.
• Characterization of the ground X̃  2Π state of the complexes R⋅SH (R=Ne,Ar,Kr)
  作者：Min-Chieh Yang、Christopher C. Carter、Terry A. Miller

  DOI：10.1063/1.478633

  日期：1999.4.15

  Information characterizing the X̃  2Π state of the R⋅SH (R=Ne,Ar,Kr) complexes has been obtained from two complementary experimental techniques. The spin-vibronic energy levels have been determined by wavelength resolved fluorescence spectroscopy subsequent to laser excitation of specific vibrational levels of the Ã 2Σ+ state. In addition, several “hot” bands from excited spin-vibronic levels of X̃ 2Π Ne⋅SH have been observed and assigned. The experimental data have been used to construct a simple model for the ground state potential energy surface for each complex. These models show that the most stable conformation for each complex is linear H-bonded, but the barrier to isomerization to the S-bonded complex is quite low. The overall bonding is somewhat weaker and more isotropic than the corresponding hydroxyl complexes.
• Electronic spectroscopy and excited state dynamics of the Ar⋅SH complex
  作者：Min‐Chieh Yang、Aldo P. Salzberg、Bor‐Chen Chang、Christopher C. Carter、Terry A. Miller

  DOI：10.1063/1.465037

  日期：1993.3

  The laser excitation spectrum à (0,00,vS′)−X̃ (0,00,0), has been observed for the Ar⋅SH complex. Rotational constants and bond lengths have been obtained for vibrational levels of the à and X̃ states. A remarkable lengthening of the à state natural lifetime is observed upon Ar complexation.