hydroxysulfonyl | 103905-48-2

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 其他非金属有机物
• 英文名称: hydroxysulfonyl
• 英文别名: Hydroxy(oxo)sulfanium
• CAS: 103905-48-2；198897-57-3
• 化学式: HO₂S
• 分子量: 65.0727
• InChiKey: RAHZWNYVWXNFOC-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  3
• 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：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  argon-H3(1+) complex 、 二氧化硫 以 gaseous matrix 为溶剂， 生成 hydroxysulfonyl
  参考文献：
  名称：

  Interaction between the ion dipole and the ion‐induced dipole in reactions of the polar ion ArH⁺₃

  摘要：

  The reactions of the highly polar ion ArH+3 with the nonpolar neutrals Xe, Kr, CH4, CO, NO, O2, and N2 and with the polar neutrals SO2, H2O, NH3, CH3I, and C2H5I have been investigated in a selected ion flow drift tube experiment at near thermal conditions. The rate coefficients obtained have typically 15%–35% larger values than the collisional limiting values kL and kADO obtained by the Langevin and ADO (average dipole orientation) theory, respectively. These data are explained on the basis of the interaction between the dipole of ArH+3 and the ion-induced dipole and the permanent dipole, respectively, of the neutral reactants. Rate coefficients for the reactions of H+3 with the above neutrals were also obtained for comparison, as well as the zero field mobility of ArH+3 in helium being (18.5±1.5) cm2/V s. The ion KrD+3 (KrH+3) was detected unambiguously for the first time. Its dissociation energy is larger than 0.29 eV which is the lower limit of the dissociation energy of ArH+3.

  DOI：

  10.1063/1.466691

文献信息

• Reactions of CO2 +, CO2CO2 + and H2O+ ions with various neutral molecules
  作者：Asit B. Rakshit、Peter Warneck

  DOI：10.1039/f29807601084

  日期：——

  A drift chamber mass spectrometer apparatus was used to determine products and rate coefficients at 300 K for reactions of CO2+, CO2CO2+ and H2O+ with H2, CH4, SO2, O2, C2H2, C2H4, COS, CS2, NH3, NO2 and NO. Charge transfer is the predominant reaction channel in most cases. Reaction efficiencies are discussed by comparison with rate coefficients calculated from the capture mechanism according to averaged

  使用漂移室质谱仪设备确定在300 K下CO 2 +，CO 2 CO 2 +和H 2 O +与H 2，CH 4，SO 2，O 2，C 2 H反应的产物和速率系数2，C 2 H 4，COS，CS 2，NH 3，NO 2和不。在大多数情况下，电荷转移是主要的反应通道。通过与根据平均偶极子定向理论从捕获机制计算出的速率系数进行比较，讨论了反应效率。
• Ion chemistry of sulfuryl fluoride: An experimental and theoretical study on gas-phase reactions involving neutral and ionized SO2F2
  作者：Paola Antoniotti、Paola Benzi、Lorenza Operti、Roberto Rabezzana、Stefano Borocci、Maria Giordani、Felice Grandinetti

  DOI：10.1016/j.ijms.2013.06.001

  日期：2013.11

  molecular SO 2 F 2 + ion, whose capability of activating strong H X bonds (X = C, N, O) is ascribable to the high spin density located on the oxygen atoms, in line with literature reports. Among the ions produced by electron ionization of SO 2 F 2 , the FSO x + ( x = 0–2) ions are capable of activating the H NH 2 bond of ammonia. Theoretical investigation revealed that NH 3 activation by SF + requires

  摘要 通过离子阱质谱和从头计算研究了硫酰氟的气相离子化学。大气相关离子与中性 SO 2 F 2 的反应主要通过解离电子转移导致 SO 2 F 2 消耗。在少数情况下，会调用涉及 F-抽象的不同反应机制，因为尽管电子转移通道是吸热的，但仍观察到离解离子产物。从头算计算揭示了分子 SO 2 F 2 + 离子的近乎完美的失谐结构，其激活强 HX 键 (X = C, N, O) 的能力归因于位于氧原子上的高自旋密度，直线与文献报道。在 SO 2 F 2 电子电离产生的离子中，FSO x + ( x = 0–2) 离子能够激活氨的 H NH 2 键。理论研究表明，SF + 对NH 3 的活化需要沿反应途径进行三线态到单线态的转化。这种转化预计会很快，可以想象的反应速率决定步骤是随后的分子内氢迁移。
• Ion-molecule reactions involving hydronium, water(1+), hydroxyl(1+) at thermal energy
  作者：R. J. Shul、R. Passarella、L. T. DiFazio、R. G. Keesee、A. W. Castleman

  DOI：10.1021/j100328a025

  日期：1988.8