hydrogen bichloride anion | 23231-72-3

• 分子结构分类: 有机化合物
• 英文名称: hydrogen bichloride anion
• CAS: 23231-72-3
• 化学式: Cl₂H
• 分子量: 71.9139
• InChiKey: HUWGDPAEDBQOLM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.11
• 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：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  tris acetylacetonat siliconium dichloride 生成 hydrogen bichloride anion
  参考文献：
  名称：

  Strong Hydrogen Bonds. I. The Halide-Hydrogen Halide Systems

  摘要：

  DOI：

  10.1021/ic50009a028

文献信息

• Hydrogen bonding of O—H and C—H hydrogen donors to Cl⁻. Results from mass spectrometric measurements of the ion–molecule equilibria RH + Cl⁻ = RHCl⁻
  作者：M. A. French、S. Ikuta、P. Kebarle

  DOI：10.1139/v82-267

  日期：1982.8.1

  Equilibrium constants K₁ for reaction [1] RH + Cl⁻ = RHCl⁻ in the gas phase were measured with a high pressure mass spectrometer under chemical ionization conditions. Data for some 40 compounds RH are presented. It is found that the binding free energies [Formula: see text] for RH = oxygen acids increase with the gas phase acidity of RH. The strongest bonds are formed with strong acids like HCO₂H, CH₃CO₂H, and phenol. Water and alkyl alcohols give much weaker interactions. A simple relationship between gas phase acidity and binding free energy does not occur for RH = carbon acids. Carbon acids like cyclopentadiene, whose high gas phase acidity is largely due to charge derealization by conjugation in the completed anion, do not give Cl⁻ adducts with stability commensurate with the acidity. A relationship between gas phase acidity and binding energy is found for carbon acids with carbonyl groups and for the substituted toluenes. Molecular orbital calculations with the STO-3G basis set provide insights to the bonding occurring in RHCl⁻. For all cases investigated, hydrogen bonding to Cl⁻ provides the most stable structure. Generally the hydrogen bond occurs through the hydrogen which has the highest net positive charge. The hydrogen bond strength is found approximately proportional to this positive charge. Another proportionality is found between the charge transferred from Cl⁻ to RH, on formation of RHCl⁻, and the strength of the hydrogen bond.

  气相中反应[1] RH + Cl⁻ = RHCl⁻的平衡常数K₁是通过高压质谱仪在化学电离条件下测量的。展示了大约40种化合物RH的数据。发现结合自由能[公式：见正文]对于RH = 氧酸随着RH的气相酸性增加而增加。与强酸如HCO₂H、CH₃CO₂H和酚形成的键是最强的。水和烷基醇产生的作用力要弱得多。对于RH = 碳酸，气相酸性和结合自由能之间没有简单的关系。像环戊二烯这样的碳酸，其高气相酸性主要是由于在完整负离子中通过共轭的电荷去稳定化，并没有给出与酸性相称的Cl⁻加合物的稳定性。在带有羰基的碳酸和取代甲苯中发现了气相酸性和结合能之间的关系。使用STO-3G基组进行分子轨道计算为RHCl⁻中发生的成键提供了洞见。在所有调查的案例中，与Cl⁻的氢键提供了最稳定的结构。通常氢键是通过具有最高净正电荷的氢原子形成的。氢键的强度大约与这个正电荷成正比。在形成RHCl⁻时，从Cl⁻向RH转移的电荷与氢键的强度之间也发现了另一种比例关系。

• Acid-Base Equilibria in Acetonitrile. Spectrophotometric and Conductometric Determination of the Dissociation of Various Acids¹
  作者：I. M. Kolthoff、S. Bruckenstein、M. K. Chantooni

  DOI：10.1021/ja01480a001

  日期：1961.10

  weak. Except in extremely dilute solutions HBr, H2SO4, HNO3, and HCl dissociate yielding reversibly H(+) and AHA(-). The over-all dissociation constants of these acids were determined spectrophotometrically with the aid of indicator bases and conductometrically for H2SO4 and picric acid. By other suitable methods the stability constants, (K sub AHA(-) equal (AHA(-)/(HA) (A (-)), were evaluated. The value

  摘要：指示剂邻硝基苯胺、邻硝基对氯苯胺和邻硝基二苯胺在乙腈中的强度约为水中的 50,000 倍。高氯酸表现为强酸；HA 表示的其他酸是弱酸。除了在极稀溶液中，HBr、H2SO4、HNO3 和 HCl 都可可逆地解离，生成 H(+) 和 AHA(-)。这些酸的总解离常数在指示剂碱的帮助下通过分光光度法和 H2SO4 和苦味酸的电导法测定。通过其他合适的方法，对稳定性常数 (K sub AHA(-) 等于 (AHA(-)/(HA) (A (-))) 进行了评估。对于 H2SO4，K sub AHA(-) 的值从 1300 降低到在 25℃下，HBr 为 250， 和 HCl 为 200。报告了以下 pK sub HA 值：HBr，5.5；H2SO4，7.25；以及 和 HCl，8.9。浓度小于 0.1 M 的苦味酸解离为 H(+) 和 Pi(-)，pK sub HPi(--)
• Photochemical insertion of Hg in the HCl bond and mercury-sensitized production of ClHCl− and KrHKr+ in low-temperature matrices
  作者：N. Legay-Sommaire、F. Legay

  DOI：10.1016/s0009-2614(99)01120-3

  日期：1999.11

  Using FTIR spectroscopy, we have studied the insertion reaction of Hg excited in its 3P1 state in the HCl molecule in low-temperature Ar, Kr and N2 matrices. A new molecule HHgCl (DHgCl) is produced. In the rare-gas matrices, we also observe the formation of ClHCl− (ClDCl−) and some lines which may be tentatively assigned to HgH in very perturbed sites, although they are lying far from the known absorption

  使用FTIR光谱，我们研究了在低温Ar，Kr和N 2基质中，以3 P 1状态激发的HG在HCl分子中的插入反应。产生了新的分子HHGCl（DHGCl）。在稀有气体矩阵，我们还观察ClHCl的形成-  （ClDCl - ），并且可以被暂时分配给HGH在非常扰动位点的某些行，虽然它们是从在气相中已知的吸收躺在远。在Kr基体中，观察到Kr 2 H +的吸收光谱。该离子通过汞敏化反应获得。在氩气中，Ar 2 H +的产生量不明显。
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: P: MVol.C, 196, page 449 - 451
  作者：

  DOI：——

  日期：——
• Waddington, T. C.; Klamberg, F., Journal of the Chemical Society
  作者：Waddington, T. C.、Klamberg, F.

  DOI：——

  日期：——