calcium monohydrosulfide | 104839-21-6

• 英文名称: calcium monohydrosulfide
• CAS: 104839-21-6
• 化学式: CaHS
• 分子量: 73.1519
• InChiKey: HJGOQUKBJBJWGK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.0
• 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：
  1.0

反应信息

• 作为产物：
  描述：

  硫化氢 、 calcium 以 gas 为溶剂， 生成 calcium monohydrosulfide
  参考文献：
  名称：

  气相无机化学：钙和锶单硫醇盐和一氢硫化物的激光光谱

  摘要：

  The gas-phase reaction of Ca and Sr vapors with various thiols and hydrogen sulfide was studied. These reactions produced the metal monothiolates CaSR and SrSR, where R = H, CH3, CH2CH3, etc. Three electronic transitions, C2A' - X2A', B2A" - X2A', and A2A' - X2A', were detected by laser-induced fluorescence. The spectra are consistent with a bent Ca-S-R structure. Some Ca-S and Sr-S stretching frequencies were determined from the spectra.

  DOI：

  10.1021/j100160a009

文献信息

• Molecular beam optical Stark spectroscopy of CaSH
  作者：C. T. Scurlock、T. Henderson、S. Bosely、K. Y. Jung、T. C. Steimle

  DOI：10.1063/1.467166

  日期：1994.4.15

  The rotationally resolved spectrum of the (000–000) B̃ 2A″–X̃ 2A′ band system [T000–000=15 859.4638(15) cm−1] of a supersonic molecular beam sample of calcium monohydrosulfide, CaSH, was recorded in the presence of a variable static electric field. The magnitude of the a-principal axis component of the permanent electric dipole moment, ‖μa‖, was determined to be 5.36(4) and 3.78(7) D for the X̃ 2A′ and B̃ 2A″ states, respectively. An analysis of the field free spectra produced values for the (000) B̃ 2A″ vibronic state fine structure parameters of (in cm−1); A′=10.433 56(16), B′=0.143 43(15), C′=0.141 14(15), εaa=−5.779 3(19), εbb=0.107 67(88), and εcc=0.032 70(83). An interpretation of the parameters is presented.
• Millimeter‐wave spectra of CaSH and CaSD
  作者：Amine Taleb‐Bendiab、Flavio Scappini、Takayoshi Amano、James K. G. Watson

  DOI：10.1063/1.471458

  日期：1996.5.15

  The pure rotational spectra of CaSH and CaSD were observed using millimeter-wave absorption spectroscopy. The gas phase free radicals were produced in a high-temperature cell by the reaction of Ca vapor with H2S or D2S in the presence of an electrical discharge. The spectra were analyzed using an S-reduced Hamiltonian. The molecular constants including the rotational constants, centrifugal distortion constants, and spin-rotation constants were extracted from the spectra. The off-diagonal spin-rotation term, ‖εab+εba‖/2, is 3.38(12) MHz and 4.59(4) MHz for CaSH and CaSD, respectively. The moment of inertia data of CaSH and CaSD yielded the r0 structure. The three structural parameters are Ca–S=2.564(2) Å, S–H=1.357(17) Å, and ∠Ca–S–H=91.0(18)°.