氟化氢二聚体阴离子 | 18130-74-0

• 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
• 中文名称: 氟化氢二聚体阴离子
• 英文名称: hydrogen fluoride dimer anion
• 英文别名: hydrogen difluoride；hydrogen bifluoride anion；bifluoride anion；bifluoride ion；bifluoride(1-)
• CAS: 18130-74-0
• 化学式: F₂H
• 分子量: 39.0047
• InChiKey: LJRMFMQHZAVYNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.57
• 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

• 作为反应物：
  描述：

  氟化氢二聚体阴离子 在 potassium hydrogen bifluoride 作用下， 以 melt 为溶剂， 生成 氢氟酸
  参考文献：
  名称：

  Argo; Mathers; Humiston, Transactions of the American Electrochemical Society, 1919, vol. 35, p. 335 - 335

  摘要：

  DOI：
• 作为产物：
  描述：

  氢氟酸 在 electron 作用下， 以 gaseous matrix 为溶剂， 生成 氟化氢二聚体阴离子
  参考文献：
  名称：

  Negative ion photoelectron spectroscopy of the ground state, dipole-bound dimeric anion, (HF)2−

  摘要：

  We present the mass spectral and photoelectron spectroscopic results of our study of (HF)2−. Our main findings are as follows. The (HF)2− anion was observed experimentally for the first time, confirming the 20 year old prediction of Jordan and Wendoloski. The photoelectron spectrum of (HF)2− exhibits a distinctive spectral signature, which we have come to recognize as being characteristic of dipole bound anions. The vertical detachment energy (VDE) of (HF)2− has been determined to be 63±3 meV, and the adiabatic electron affinity (EAa) of (HF)2 was judged to be close to this value as well. Relatively weak spectral features, characteristic of intramolecular vibrations in the final (neutral dimer) state, were also observed. We have interpreted these results in terms of slight distortions of the dimer anion’s geometric structure which lead to an enhanced dipole moment. This interpretation is supported to a considerable extent by theoretical calculations reported in the companion paper by Gutowski and Skurski.

  DOI：

  10.1063/1.474653
• 作为试剂：
  描述：

  (S)-t-叔丁基缩水甘油醚 在 氟化氢二聚体阴离子 、 四丁基硫酸氢铵 、 三乙二醇 作用下， 反应 20.0h， 以66%的产率得到(R)-1-叔丁氧基-3-氟丙烷-2-醇
  参考文献：
  名称：

  Development of a Scalable Synthesis of (S)-3-Fluoromethyl-γ-butyrolactone, Building Block for Carmegliptin’s Lactam Moiety

  摘要：

  Several new routes are reported for the synthesis of (S)-3-fluoromethyl-gamma-butyrolactone. An asymmetric hydrogenation-based synthesis was chosen as the enabling route to produce the lactone on a 10-kg scale. A superior stereoselective route starting from (S)-tert-butyl glycidyl ether which afforded the desired lactone in three steps with similar to 50% overall yield was finally selected for further development and production.

  DOI：

  10.1021/op200019k

文献信息

• A comprehensive view of the gas-phase reaction of fluoride ions and acetic acid derivatives
  作者：Jose M. Riveros

  DOI：10.1039/c39900000773

  日期：——

  The gas-phase reaction of F– with several acetic acid derivatives (MeCOX) is shown to proceed primarily by proton abstraction in the collision complex, rather than nucleophilic displacement, leading to the facile formation of FHX– or CH2CFO–.

  结果表明，F –与几种乙酸衍生物（MeCOX）的气相反应主要是通过质子在碰撞复合物中的提取而不是亲核取代进行的，从而导致FHX –或CH 2 CFO –的容易形成。
• Thermodynamic parameters of thorium-fluoride complexes from measurements with the fluoride-selective electrode at 5, 25, and 45°C
  作者：Elizabeth W. Baumann

  DOI：10.1016/0022-1902(70)80557-7

  日期：1970.12

  Stability quotients for the thorium-fluoride and hydrogen-fluoride systems in 0·01 M NH4NO3 at 5, 25, and 45°C were determined from measurements of free fluoride ion concentration by the lanthanum fluoride membrane electrode. Thermodynamic stability constants, standard enthalpies, and standard entropies were derived from the experimental data for formation of ThF3+, ThF22+, ThF3+, ThF4, and HF.

  由氟化镧膜电极测定的游离氟离子浓度，求出氟化or和氟化氢体系在0·01 M NH 4 = NO 3在5、25和45°C下的稳定性商。热力学稳定性常数，标准焓和标准熵是从形成ThF 3+，ThF 2 2 +，ThF 3 +，ThF 4和HF的实验数据中得出的。
• Formation and characterization of HUF and DUF in solid argon
  作者：Thomas Vent-Schmidt、Rodney Dale Hunt、Lester Andrews、Sebastian Riedel

  DOI：10.1039/c3cc41379a

  日期：——

  Reactions of laser-ablated U atoms with HF and DF in condensing and solid rare gas produce HUF and DUF as the major new products based on close agreement between observed and calculated vibrational frequencies and deuterium shifts for U–H and U–F stretching modes at 1383 and 544 cm−1, respectively.

  激光剥蚀的铀(U)原子与氟化氢(HF)和氟化氘(DF)在浓缩和固态稀有气体中反应，主要生成新的产物氢氟化铀(HUF)和氘氟化铀(DUF)，这一结论基于观察到的振动频率与计算值之间以及铀-氢(U–H)和铀-氟(U–F)伸缩模式的氘位移在1383和544 cm−1处分别的高度一致性。
• A highly selective and sensitive chemosensor derived coumarin–thiazole for colorimetric and fluorimetric detection of CN− ion in DMSO and aqueous solution: synthesis, sensing ability, Pd(II)/Pt(II) complexes and theoretical studies
  作者：Ömer Şahin、Ümmühan Özmen Özdemir、Nurgül Seferoğlu、Burcu Aydıner、Musa Sarı、Tuncay Tunç、Zeynel Seferoğlu

  DOI：10.1016/j.tet.2016.08.004

  日期：2016.9

  addition mechanisms at the same time. The mechanisms of reactions of chemosensor 4 with; CN−, F−, and AcO− were examined using 1H NMR spectroscopy, and were also theoretically supported by DFT and TD-DFT calculations. In addition, the metal complexes of chemosensor 4 with Pd(II) and Pt(II) were also synthesized and all the synthesized compounds were characterized using general spectroscopic methods (FTIR

  已设计并合成了比色和荧光开启氰化物探针，包括香豆素-噻唑和亚胺（偶氮甲碱）基团。这表明立即可见的颜色从黄色至深红色仅在DMSO变化，并且当CN强黄色和绿色荧光的外观-加入到DMSO和DMSO的混合物：H 2分别为：O（1 9）。因此，传感器可用于检测CN -在水溶液中。化学传感器的感测机构4层的反应与CN -用在同一时间的去质子化和加成机制观察到的离子。化学传感器4与之反应的机理; CN -，F -和ACO-使用1 H NMR光谱检查，并且在理论上也得到DFT和TD-DFT计算的支持。此外，还合成了化学传感器4与Pd（II）和Pt（II）的金属配合物，并使用通用光谱法（FTIR，1 H / 13 C NMR和质谱），磁化率对所有合成的化合物进行了表征。和电导率测量。另外，使用单晶X射线分析来确定4的分子结构。
• Fluoride determination with a micro flow-calorimeter
  作者：C Johansson

  DOI：10.1016/0039-9140(72)80131-0

  日期：1972.11

  Fluoride is determined by an integration technique with a flow calorimeter. All samples are absorbed on an anion-exchange resin before being brought into the calorimetric system. The reaction between hydrofluoric add and sodium hydroxide is used in the determinations. The method is applied to samples with between 7 mug and 5 mg of fluoride. The confidence limit is +/-2-5 mug for small samples and +/-25

  氟化物是通过带流量热计的积分技术确定的。在将样品引入量热系统之前，将所有样品吸收在阴离子交换树脂上。测定中使用氢氟酸加成物与氢氧化钠之间的反应。该方法适用于氟化物在7杯至5毫克之间的样品。小样本的置信度限制为+/- 2-5马克杯，大样本的置信度限制为+/- 25马克杯。发现反应H（+）+ F（-）-> HF（（aq））的焓为13.77 +/- 0.08 kJ摩尔。