thiomethylium | 90207-79-7

• 分子结构分类: 有机化合物 - 碳氢化合物衍生物
• 英文名称: thiomethylium
• 英文别名: thioformyl cation；Sulfanylidenemethylium；methanethione
• CAS: 90207-79-7
• 化学式: CHS
• 分子量: 45.0849
• InChiKey: YOFNWWZZELAVRX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 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：
  32.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  thiomethylium 在 丙酮 作用下， 以 gas 为溶剂， 生成 carbon monosulfide
  参考文献：
  名称：

  硫化碳（CS）的质子亲和力

  摘要：

  DOI：

  10.1021/j100265a007
• 作为产物：
  描述：

  环硫乙烷 生成 thiomethylium
  参考文献：
  名称：

  HCS+形成热的光电离研究

  摘要：

  HCS/sup +/ 的形成热是通过三个饱和环硫分子的离解光电离研究确定的：硫杂环丁烷 (C/sub 2/H/sub 4/S)、硫杂环丁烷 (C/sub 3/H/sub 6 /S) 和四氢噻吩 (C/sub 4/H/sub 8/S)。来自后两种前体的 HCS/sup +/ 表观能产生 ..delta..H/sub f//sup 0//sub 0/小于或等于 233 kcal/mol。然而，来自硫杂丙环的 HCS/sup +/ 生成热高 12 kcal/mol，这一差异归因于反向激活势垒。动能释放作为通过光离子-光电子重合测量的硫杂丙环内能的函数表明，在离解阈值下，只有 0.03 eV 的反向活化能作为 HCS/sup +/ 和 CH/sub 3/ 产物的动能释放，远低于统计预期的 0。

  DOI：

  10.1021/ja00383a002

文献信息

• Ion-molecule reactions of hydrogen sulfide with ethylene and acetylene
  作者：S. E. Buttrill

  DOI：10.1021/ja00715a006

  日期：1970.6

  Ion-molecule reactions in mixtures of hydrogen sulfide with ethylene and acetylene from deuterium labeling studies via ion cyclotron resonance spectroscopy

  通过离子回旋共振光谱进行氘标记研究的硫化氢与乙烯和乙炔混合物中的离子分子反应
• The rotational spectrum up to 1 THz and the molecular structure of thiomethylium, HCS⁺
  作者：L. Margulès、F. Lewen、G. Winnewisser、P. Botschwina、H. S. P. Müller

  DOI：10.1039/b303260d

  日期：——

  The rotational spectra of HCS+, DCS+, and HC34S+ have been investigated using a newly constructed ion cell in selected regions between 0.46 and 0.94 THz. 23 transitions covering the quantum numbers 10 ⩽ J″ ⩽ 25 have been used in a combined fit together with previous data to improve the rotational and quartic centrifigal distortion constants B0 and D0, respectively. High J transitions have been measured specifically to obtain an estimate of the sextic distortion constant H0. Vibration rotation coupling constants αi were obtained from coupled cluster calculations. They were used to determine a mixed experimental/ab initio equilibrium structure re.

  在 0.46 和 0.94 太赫兹之间的选定区域，我们使用新构建的离子池研究了 HCS+、DCS+ 和 HC34S+ 的旋转光谱。23 个涵盖量子数 10 ⩽ J″ ⩽ 25 的跃迁被用于与先前数据的组合拟合，以分别改进旋转和四元离心畸变常数 B0 和 D0。对高 J 转变进行了专门测量，以获得六次畸变常数 H0 的估计值。振动旋转耦合常数 αi 是通过耦合簇计算获得的。它们被用来确定混合实验/实验初始平衡结构 re。
• Selected ion flow drift tube studies of the reactions of S+(4S) with CH4, C2H2, C2H4, and C3H8
  作者：P. Zakouril、J. Glosik、V. Skalsky、W. Lindinger

  DOI：10.1021/j100043a030

  日期：1995.10

  The reaction rate coefficients, k, and the product distributions for the reactions of ground-state S+(S-4) with small hydrocarbon molecules CH4, C2H2, C2H4, and C3H8 have been measured as a function of reactant ion/ reactant neutral average center-of-mass kinetic energy, KE(CM), in a selected ion flow drift tube (SIFDT) apparatus. The measurements have been performed at a temperature 298 +/- 2 K with helium as a buffer gas. The values k of the studied reactions have pronounced negative energy dependencies. For some reactions k decreases by about one order of magnitude when KE(CM) is increasing from near thermal values to a few electronvolts. This is interpreted in terms of a simple model assuming the reactions to proceed via the formation of long-lived complexes. The lifetimes of these intermediate complexes against decomposition back to reactants and forward to products (or corresponding unimolecular rate coefficients k(-1) and k(2)) govern the overall rate of the reactions. It is found from the kinetics of the studied reactions that a power law of the form k(-1)/k(2) = const(KE(CM))(m), where m is a constant parameter, can be used to describe the energy dependencies of the overall reaction rate coefficients of studied reactions.
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: S: SVol.4a/b, 5.2.3, page 474 - 478
  作者：

  DOI：——

  日期：——
• Bohme, Diethard K.; Wlodek, Stanislaw; Baksit, Asit B., Canadian Journal of Chemistry, 1987, vol. 65, p. 1563 - 1567
  作者：Bohme, Diethard K.、Wlodek, Stanislaw、Baksit, Asit B.

  DOI：——

  日期：——