氙二氢化物 | 12593-17-8

• 中文名称: 氙二氢化物
• 英文名称: xenon dihydride
• CAS: 12593-17-8
• 化学式: H₂Xe
• 分子量: 133.306
• InChiKey: NMKOHUHDCDLLPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.54
• 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：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  以 solid matrix 为溶剂， 生成 氙二氢化物
  参考文献：
  名称：

  The mechanism of formation and infrared-induced decomposition of HXeI in solid Xe

  摘要：

  Ultraviolet (UV) irradiation of HI-doped xenon matrix dissociates the precursor and leads to the formation and trapping of neutral atoms. After UV photolysis, annealing of the matrix mobilizes the hydrogen atoms at about 38 K. The mobilized hydrogen atoms react with I/Xe centers forming HXeI molecules in a diffusion controlled reaction. The formed molecules can be photolyzed with infrared (IR) irradiation at 2950–3800 cm−1 and quantitatively regenerated thermally. The formation of HXeI from neutral atoms is proved by the quantitative correlation between neutral iodine atoms and HXeI molecules in selective IR photodissociation and thermal regeneration experiments. Kinetic measurements show that the formation of HXeI from atoms is prevented by a potential barrier, which is estimated to be 700 cm−1 in magnitude. The potential barrier is proposed to originate from the avoided crossing between neutral H+Xe+I and ionic (HXe)++I− singlet surfaces. The dissociation energy D0 of HXeI with respect to the top of the potential barrier is estimated to be 2950 cm−1 and De about 4070 cm−1 in solid Xe. The weak IR photodissociation profile of HXeI around 3000 cm−1 is measured by irradiating the sample with tunable IR source and monitoring the changes in the fundamental region. The formation mechanism from neutral atoms is believed to be valid for other similar rare-gas compounds.

  DOI：

  10.1063/1.475042

文献信息

• Chemical Compounds Formed from Diacetylene and Rare-Gas Atoms:  HKrC₄H and HXeC₄H
  作者：Hanna Tanskanen、Leonid Khriachtchev、Jan Lundell、Harri Kiljunen、Markku Räsänen

  DOI：10.1021/ja038610x

  日期：2003.12.1

  some further stabilization of the HRgC4H molecules as compared with the corresponding HRgC2H species identified recently (Khriachtchev et al. J. Am. Chem. Soc. 2003, 125, 4696 and Khriachtchev et al. J. Am. Chem. Soc. 2003, 125, 6876). The computational energetic results support this trend. HXeC4H is predicted to be 2.5 eV lower in energy than H + Xe + C4H, which is approximately 1 eV larger than the

  新的有机稀有气体化合物 HRgC4H（Rg = Kr 或 Xe）在由 ab initio 计算支持的基质隔离实验中得到鉴定。这些化合物是已知稀有气体氢化物中最大的分子。它们是在低温稀有气体基质中通过丁二炔的 UV 光解和随后 H 原子在大约 30 和 45 K 下对 Kr 和 Xe 的热迁移制备的。HRgC4H 分子的最强 IR 吸收带是 H-Rg 拉伸，其中最强烈的成分是 HKrC4H 的 1290 cm(-1) 和 HXeC4H 的 1532 cm(-1)，以及一些较弱的吸收（CH 拉伸， CCC 弯曲和 CCH 弯曲模式）也与理论预测一致。作为最重要的结果，IR 吸收光谱表明 HRgC4H 分子与最近鉴定的相应 HRgC2H 物质相比具有一些进一步的稳定性（Khriachtchev 等人 J. Am. Chem. Soc. 2003, 125, 4696 和 Khriachtchev
• A Small Neutral Molecule with Two Noble-Gas Atoms: HXeOXeH
  作者：Leonid Khriachtchev、Karoliina Isokoski、Arik Cohen、Markku Räsänen、R. Benny Gerber

  DOI：10.1021/ja077835v

  日期：2008.5.1

  A novel noble-gas compound, HXeOXeH, is identified using IR spectroscopy, and it seems to be the smallest known neutral molecule with two noble-gas atoms. HXeOXeH is prepared using, for example, UV photolysis of water in solid xenon and subsequent annealing at 40-45 K. The experimental observations are fully supported by extensive quantum chemical calculations. A large energy release of 8.3 eV is computationally

  使用红外光谱鉴定了一种新型惰性气体化合物 HXeOXeH，它似乎是已知最小的具有两个惰性气体原子的中性分子。HXeOXeH 是使用例如固体氙中的水的 UV 光解和随后在 40-45 K 下退火制备的。大量的量子化学计算完全支持实验观察。HXeOXeH 分解为 2Xe + H2O 全局能量最小值的计算预测为 8.3 eV 的大能量释放。HXeOXeH 可能代表着可能制备 (Xe-O)n 链的第一步，它可能与地球上的“缺少氙”问题有关。
• A Neutral Xenon-Containing Radical, HXeO
  作者：Leonid Khriachtchev、Mika Pettersson、Jan Lundell、Hanna Tanskanen、Tiina Kiviniemi、Nino Runeberg、Markku Räsänen

  DOI：10.1021/ja029024r

  日期：2003.2.1

  We report an open-shell species containing xenon, HXeO ((2)Sigma), prepared by UV photolysis of H(2)O/Xe or N(2)O/HBr/Xe solid mixtures at 7 K and subsequent thermal mobilization of oxygen atoms at >/=30 K. The H-Xe stretching absorption of HXeO in solid Xe is at 1466.1 cm(-1), and it shifts to 1070.3 cm(-1) upon deuteration. The extensive ab initio calculations indicate that HXeO is intrinsically stable, owing to significant ionic and covalent contributions to its bonding. The formation of HXeO ((2)Sigma) radicals in these experiments suggests extensive stabilization and thermal mobility of singlet ((1)D) oxygen atoms in solid Xe and holds promises for the stability of the HKrO and HArO species.
• Experimental evidence of the solid-phase H+HXeH reaction
  作者：Leonid Khriachtchev、Mika Pettersson、Hanna Tanskanen、Markku Räsänen

  DOI：10.1016/s0009-2614(02)00687-5

  日期：2002.6

  Photolysis and annealing experiments with HI/Xe and H2O/Xe matrixes are described and analyzed. The experimental results indicate reactions between HXeH molecules and thermally mobilized H atoms. These reactions limit the amounts of HXeH molecules formed during annealing and presumably yield H-2 molecules. A simple kinetic model including reactions of rare-gas molecules with mobile H atoms describes well the experimental observations. (C) 2002 Elsevier Science B.V. All rights reserved.
• Fluorine-Free Organoxenon Chemistry:  HXeCCH, HXeCC, and HXeCCXeH
  作者：Leonid Khriachtchev、Hanna Tanskanen、Jan Lundell、Mika Pettersson、Harri Kiljunen、Markku Räsänen

  DOI：10.1021/ja034485d

  日期：2003.4.1

  Three novel Xe-containing organic compounds, HXeCCH, HXeCC (open-shell species), and HXeCCXeH, are identified using infrared absorption spectroscopy. They are prepared in a low-temperature Xe matrix using UV photolysis of acetylene and subsequent annealing at 40-45 K. The experimental observations are supported by extensive ab initio calculations. This work demonstrates a new way to activate the H-Ctbd1;C- group without use of XeF(2), which can extend the range of organoxenon compounds.