hydroxyl-H2 | 200066-90-6

• 分子结构分类: 无机化合物
• 英文名称: hydroxyl-H2
• CAS: 200066-90-6
• 化学式: HO*H₂
• 分子量: 19.0232
• InChiKey: ZCWCEGODEXVSRN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.07
• 重原子数：
  1.0
• 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：
  30.0
• 氢给体数：
  1.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  hydroxyl-H2 以 gaseous matrix 为溶剂， 生成 大鼠1,25-二羟基维生素D(1,25(OH)2D)试剂盒
  参考文献：
  名称：

  H 2 -OH入口通道络合物的时间分辨解离

  摘要：

  报告了时间分辨的实验和计算结果，表明在其基态电子状态下，H 2 -OH和D 2 -OH的亚稳态v OH = 2振动状态的预解离动力学。对于H 2 -OH的绝对寿命和D 2 -OH的相对产物状态分布，在理论和实验之间找到了很好的一致性。 含有D 2和H 2的配合物的激发振动态寿命分别为10 -9和10 -6 s 。

  DOI：

  10.1016/s0009-2614(98)00869-0
• 作为产物：
  描述：

  大鼠1,25-二羟基维生素D(1,25(OH)2D)试剂盒 、 氢气 以 gaseous matrix 为溶剂， 生成 hydroxyl-H2
  参考文献：
  名称：

  State-to-state inelastic scattering from vibrationally activated OH–H2 complexes

  摘要：

  State-selective infrared excitation of o-H2–OH via the pure OH overtone transition has been used to induce a half-collision inelastic scattering event between the OH radical and ortho-H2 under restricted initial orientation conditions. The time evolution and final state distribution of the OH products from vibrational predissociation have been evaluated by ultraviolet probe laser-induced fluorescence measurements. The half-collision scattering takes place with ∼3350 cm−1 of energy available to the OH (v=1)+o-H2 products, an energy that exceeds the classical barrier to reaction. The OH (v=1) products are preferentially populated in high rotational levels with a distribution that is consistent with an energy gap law. A significant fraction of the OH fragments are promoted to the excited spin–orbit state in the predissociation process. A strong lambda-doublet propensity is also found, indicating that the OH unpaired pπ orbital is preferentially aligned perpendicular to the rotational plane of the OH products. Finally, the OH rotational and fine structure distributions are compared with those obtained in previous full collision inelastic scattering studies at energies below the threshold for reaction.

  DOI：

  10.1063/1.477769

文献信息

• Stabilization of reactants in a weakly bound complex: OH–H₂and OH–D₂
  作者：Richard A. Loomis、Marsha I. Lester

  DOI：10.1063/1.470678

  日期：1995.9.8

  Binary complexes of OH X 2Π and H2/D2 have been stabilized in a shallow well below the activation barrier to the hydrogen abstraction reaction and identified by laser-induced fluorescence in the OH A 2Σ+–X 2Π 1–0 spectral region. The characteristics of the OH (X 2Π, A 2Σ+)+H2/D2 potentials are in accord with ab initio predictions.
• Electronic spectroscopy and quenching dynamics of OH–H₂/D₂pre‐reactive complexes
  作者：Richard A. Loomis、Rebecca L. Schwartz、Marsha I. Lester

  DOI：10.1063/1.471408

  日期：1996.5.8

  Binary complexes of OH X 2Π and H2/D2 have been stabilized in the entrance valley to the hydrogen abstraction reaction and identified in the OH A 2Σ+–X 2Π 0–0 spectra region. Nearly all of the intermolecular vibrational levels supported by the OH A 2Σ+ (v′=0)+H2/D2 potential energy surface have been observed in fluorescence depletion experiments. Rapid electronic quenching precludes the observation of OH–H2/D2 prepared in these levels by laser-induced fluorescence. A sharp onset of laser-induced fluorescence occurs at the OH A 2Σ+ (v′=0)+H2/D2 dissociation limit. The binding energies for OH–H2/D2 in the ground state correlating with OH X 2Π (v″=0)+H2/D2 have been determined to be 54 cm−1 and more than 66 cm−1, respectively. The OH A 2Σ+ (v′=0)+H2/D2 excited state is found to be at least 577 cm−1 (H2) and 639 cm−1 (D2) more strongly bound than the ground state. The positions of observed features are compared with the corresponding intermolecular levels observed by laser-induced fluorescence in the OH A–X 1–0 region as well as theoretical predictions of the transition energies based on ab initio potentials for the ground and excited electronic states. The OH–H2/D2 intermolecular levels correlating with OH A 2Σ+ (v′=0)+H2/D2 have lifetimes of 3.2–4.5 ps, deduced from homogeneous linewidths, due to quenching and/or chemical reaction.
• Infrared spectroscopy and time-resolved dynamics of the ortho-H2–OH entrance channel complex
  作者：David T. Anderson、Rebecca L. Schwartz、Michael W. Todd、Marsha I. Lester

  DOI：10.1063/1.476941

  日期：1998.9

  The rotationally resolved infrared spectrum of the prereactive o-H2–OH complex in its ground electronic state is obtained in the OH overtone region at ∼1.4 μm using an IR-UV double resonance fluorescence enhancement technique. The pure OH overtone band of o-H2–OH is observed as well as approximately 20 additional rovibrational transitions extending out to the OH (X 2Π,v=2)+o-H2(X 1Σg+) dissociation limit. These transitions are assigned as combination bands involving the simultaneous excitation of the OH vibrational overtone and intermolecular bending (internal rotor) states. The assignment of the experimental spectrum is aided by a detailed comparison with the bound states computed for the ab initio potential of Clary, Werner, and co-workers [Mol. Phys. 83, 405 (1994)]. The infrared spectroscopy results also verify the topology of this ab initio potential in the entrance channel to the OH+H2 hydrogen abstraction reaction. Direct time-resolved experiments indicate that the lifetime of the vibrationally activated o-H2–OH complex in the ground intermolecular state is 115(26) ns. The initial excitation is found to stay localized in the OH intramolecular stretching mode for a long period of time prior to vibrational predissociation or chemical reaction.