protonated hydrochloric acid | 24203-47-2

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 其他非金属卤化物
• 英文名称: protonated hydrochloric acid
• 英文别名: Chloranium
• CAS: 24203-47-2
• 化学式: ClH₂
• 分子量: 37.4689
• InChiKey: IGJWHVUMEJASKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  1
• 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：
  0
• 氢给体数：
  1
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  盐酸 在 氢气 作用下， 生成 protonated hydrochloric acid
  参考文献：
  名称：

  An absolute proton affinity scale in the ∼130–140 kcal mol⁻¹ range

  摘要：

  The dependences on temperature of the rate coefficients for the endothermic proton transfer reactions of HBr+ with CO2 and CH4 have been obtained in a variable-temperature selected ion flow tube. The measurements have been used to determine the 300 K proton affinity of CO2, P.A.(CO2), =128.5±1.0 kcal mol−1, utilizing the literature value of P.A.(Br)=131.8 kcal mol−1, obtained from the dissociation energy of HBr+, as a primary standard. The proton affinity difference between CO2 and CH4 has been substantiated by equilibrium constant measurements as a function of temperature for proton transfer between CO2 and CH4. Similar equilibrium constant measurements have been used to determine the proton affinities of HCl, N2 O, HBr, and CO, giving a proton affinity ladder ordered (in kcal mol−1) as CO(141.4), HBr(138.8), N2 O(137.3), HCl(133.0), Br(131.8), CH4 (130.0), and CO2(128.5). Proton affinities have also been determined for Br2(140.0), NO(127.0), and CF4(126.5), the last two values being obtained from selected ion flow drift tube measurements. An upper limit to P.A.(SF6) of 127 kcal mol−1 has been inferred from the instability of SF6 H+ towards dissociation into SF+5 and HF.

  DOI：

  10.1063/1.456834

文献信息

• Temperature dependence of rate coefficients for reactions of ions with dipolar molecules
  作者：D.C. Clary、D. Smith、N.G. Adams

  DOI：10.1016/0009-2614(85)80425-5

  日期：1985.9

  We present a comparison of theoretical and experimental rate coefficients for the reactions of H3+, HCO+, H−, C+ and O+ with HCN, and H3+ with HCl, over the temperature range 205–540 K. The theoretical results are obtained using an adiabatic capture theory which is selective in the initial rotational states of the reacting dipolar molecules. The experiments were performed using a variable-temperature

  我们提出的理论与实验率系数的H的反应的比较3 +，HCO +，H -，C +和O +与HCN和H 3 +用HCl，在温度范围205-540 K.理论使用绝热俘获理论获得结果，该理论在反应的偶极分子的初始旋转状态下具有选择性。使用可变温度SIFT设备进行实验。对于H 3 +和HCO + 尤其是质子转移反应，理论和实验之间有着极好的一致性，速率系数随着温度的降低而急剧增加。
• Gas-phase reactions of protonated chlorine, Cl2H+, with H2(D2) and CH4. A mass spectrometric and theoretical study
  作者：Giulia de Petris、Federico Pepi、Marzio Rosi

  DOI：10.1016/s0009-2614(99)00313-9

  日期：1999.4

  Cyclotron Resonance) experiments showed that the reaction of Cl2H+ with H2 (rate coefficient 6.3±1.0 cm3 s−1 molecule−1 at 298 K) yields ClH2+ ions, identified as protonated hydrochloric acid by CAD (Collisionally Activated Decomposition) mass spectrometry. Calculations performed at the B3LYP and CCSD(T) levels of theory show that the reaction involves insertion of the terminal Cl atom of Cl2H+ into

  FT-ICR（傅立叶变换离子回旋共振）实验表明，Cl 2 H +与H 2（在298 K下的速率系数6.3±1.0 cm 3 s -1分子-1）反应生成ClH 2 +离子，被鉴定为质子化盐酸通过CAD（碰撞活化分解）质谱法测定。从理论上的B3LYP和CCSD（T）水平进行的计算表明，该反应涉及将Cl 2 H +的末端Cl原子插入到H–H键中，这说明了实验观察到ClD 2 +而不是ClHD +由Cl 2 H +与D 2的反应形成。相同的Cl +插入机理表征了Cl 2 H +与CH 4的反应，该产物通过CAD质谱鉴定为质子化的氯甲烷CH 3 ClH +。
• Difference-frequency laser spectroscopy of the ν1 and ν3 fundamental bands of H2Cl+: Determination of the equilibrium molecular structure
  作者：Sang K. Lee、T. Amano、K. Kawaguchi、M. Oldani

  DOI：10.1016/0022-2852(88)90278-0

  日期：1988.7

  Abstract The gas-phase spectra of the ν1 and ν3 fundamental bands of H2Cl+ have been observed with a difference-frequency laser spectrometer between 2525 and 2755 cm−1. The ions were generated in a hollow cathode discharge through a gas mixture of HCl and H2. A simultaneous least-squares analysis of the ν1 and ν3 bands with an effective vibration-rotation Hamiltonian including Coriolis interaction

  摘要 用差频激光光谱仪在 2525 和 2755 cm-1 之间观察到了 H2Cl+ ν1 和 ν3 基带的气相光谱。离子通过 HCl 和 H2 的气体混合物在空心阴极放电中产生。ν1 和 ν3 带的同时最小二乘分析具有有效振动-旋转哈密顿量，包括 v1 = 1 和 v3 = 1 状态之间的科里奥利相互作用，得出带原点（H235Cl+ 的 ν1 和 ν3 为 2643.2200 和 2630.1404 cm-1 ，以及 2641.4931 和 2628.1065 cm-1（分别为 H237Cl+ 的 ν1 和 ν3）、旋转常数以及基态和激发态的离心畸变常数。已确定平衡分子结构为 re ( HCl ) = 1.30412(17) A 和 θe(HClH) = 94.243(27)° H235Cl+ 和 re ( HCl ) = 1。
• Waddington, T. C.; Klamberg, F., Journal of the Chemical Society
  作者：Waddington, T. C.、Klamberg, F.

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Cl: SVol.B1, 102, page 295 - 298
  作者：

  DOI：——

  日期：——