oxygen (1+)

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 其他非金属有机物
• 英文名称: oxygen (1+)
• 英文别名: dioxygen ion；Dioxidanyliumyl
• 化学式: O₂
• 分子量: 31.9988
• InChiKey: KMHJKRGRIJONSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  2
• 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：
  18.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  oxygen (1+) 在 C₈H₁₀ 作用下， 以 gas 为溶剂， 生成 氧气
  参考文献：
  名称：

  Reaction of O₂⁺ + C₈H₁₀ (Ethylbenzene) as a Function of Pressure and Temperature:  A Study of the Collisional Stabilization of the Reactant Intermediate

  摘要：

  Rate constants and branching fractions for the reaction Of O-2(+) with C8H10 (ethylbenzene) have been measured in the recently upgraded turbulent ion flow tube (TIFT) and are reported here as a function of temperature from 423 to 573 K and number density from 3 x 10(17) to 25 x 10(17) molecules cm(-3). The results reported here represent the first measurements to be made on this instrument as a function of both temperature and pressure. The rate constants for the reaction Of O-2(+) with C8H10 are collisional and exhibit no appreciable variation with temperature or pressure. The reaction proceeds primarily by dissociative and nondissociative charge transfer forming two main product ions, namely, C8H10+ and C7H7+. The ratio Of [C8H10+] to [C7H7](+) depends strongly on both the buffer gas number density and the temperature. Increasing the number density increases the abundance Of C8H10+, indicating that collisional stabilization of the charge transfer excited state is occurring. Measurements were made using both He and N-2 buffers. Nitrogen is almost twice as efficient at stabilizing the charge transfer product than is He. A simple model predicts the ratio of [C8H10+] to [C7H7+] to depend linearly on number density, which is consistent with the experimental results. At a constant number density, the abundance Of C7H7+ increases with temperature. A small amount of thermal dissociation of C8H10+ has been observed at 573 K.

  DOI：

  10.1021/jp026780a
• 作为产物：
  描述：

  氧气 以 gas 为溶剂， 生成 oxygen (1+)
  参考文献：
  名称：

  Autoionization observed in the O⁺₂(A ²Π_u→X ²Π_g) and O⁺₂(b ⁴Σ⁻_g→a ⁴Π_u) fluorescence excitation spectra

  摘要：

  High resolution O+2 b 4Σ−g and A 2Πu partial photoionization cross sections are obtained in the 450 to 750 Å range using the fluorescence excitation technique. The total photoionization cross section also is measured with the same photon resolution. Most of the fine structure observed in each individual channel is interpreted in terms of electronic and vibrational autoionization. The underlying continuum in the b 4Σ−g cross section shows a strong enhancement at 650 Å (19 eV) photon energy (i.e., 0.8 eV above threshold) and a strong vibrationally resolved structure centered at 620 Å (20 eV). They are interpreted as 3σgεσu resonances associated with 3σg electron ejection, the 19 eV being a shape resonance in the b 4Σ−g continuum, and the 20 eV a bound electronic state associated to B 2Σ−g and strongly autoionized into the b 4Σ−g continuum.

  DOI：

  10.1063/1.442160
• 作为试剂：
  描述：

  甲烷-d2 在 oxygen (1+) 作用下， 生成 、 、 、
  参考文献：
  名称：

  Studies of the reaction of O⁺₂ with deuterated methanes

  摘要：

  In the gas phase O+2 reacts with methane at 300 K to produce a hydrogen atom and the CH3O+2 ion. The structure of this ion has recently been determined to be H2COOH+, methylene hydroperoxide ion. The reaction rate coefficients and product distributions have now been measured at 300 K for the CHnD4−n isotopes. The reaction shows both inter- and intramolecular isotope effects, e.g., CH2D2 reacts more slowly than methane and more rapidly than CD4, but loses hydrogen or deuterium with equal probability. The ion readily transfers HO+ to alkenes, CS2, and many other neutral molecules. The reaction with CS2 has been used to investigate the isotopic distribution within mixed isotope product ions. In addition, the reaction rate coefficients for both CH4 and CD4 have been measured as functions of temperature between 20 and 500 K; in both cases a clear minimum is observed in the reaction rate coefficient near room temperature. A mechanism for the reaction is proposed which allows us to model the temperature dependence of the reaction rate coefficient over the entire range for which there are data.

  DOI：

  10.1063/1.450905

文献信息

• Reactions of CO2 +, CO2CO2 + and H2O+ ions with various neutral molecules
  作者：Asit B. Rakshit、Peter Warneck

  DOI：10.1039/f29807601084

  日期：——

  A drift chamber mass spectrometer apparatus was used to determine products and rate coefficients at 300 K for reactions of CO2+, CO2CO2+ and H2O+ with H2, CH4, SO2, O2, C2H2, C2H4, COS, CS2, NH3, NO2 and NO. Charge transfer is the predominant reaction channel in most cases. Reaction efficiencies are discussed by comparison with rate coefficients calculated from the capture mechanism according to averaged

  使用漂移室质谱仪设备确定在300 K下CO 2 +，CO 2 CO 2 +和H 2 O +与H 2，CH 4，SO 2，O 2，C 2 H反应的产物和速率系数2，C 2 H 4，COS，CS 2，NH 3，NO 2和不。在大多数情况下，电荷转移是主要的反应通道。通过与根据平均偶极子定向理论从捕获机制计算出的速率系数进行比较，讨论了反应效率。
• Experimental study of HCN+ and HNC+ ion chemistry
  作者：Simon Petrie、Colin G. Freeman、Michael Meot-Ner、Murray J. McEwan、Eldon E. Ferguson

  DOI：10.1021/ja00176a006

  日期：1990.9

  room temperature selected ion flow tube study of reactions of HCN + and HNC + . Electron impact on HCN was found to produce a mixture of HCN + and HNC + isomers. HCN + was found to be isomerized efficiently to HNC + by reaction with CO or with CO 2 , and isomerization is expected to occur for any other species M having a proton affinity PA(CN at C)

  我们报告了室温选择离子流管研究 HCN + 和 HNC + 反应的结果。发现对 HCN 的电子撞击会产生 HCN + 和 HNC + 异构体的混合物。发现 HCN + 通过与 CO 或与 CO 2 反应可有效异构化为 HNC + ，并且对于具有质子亲和力 PA(CN at C) 的任何其他物质 M 预计会发生异构化
• Linking Ion and Neutral Chemistry in CH Bond Electrophilic Activation: Generation and Detection of HO2. Reactive Radicals in the Gas Phase
  作者：Giulia de Petris、Giancarlo Angelini、Ornella Ursini、Marzio Rosi、Anna Troiani

  DOI：10.1002/anie.201107224

  日期：2012.2.6

  The flip side: Both the charged and uncharged products formed by CH bond electrophilic activation have been experimentally detected in the gas phase. The HO2. radical is formed by a process involving the prototypical oxygen‐centered radical cation O2.+ and the methane derivative CH2F2.

  反面：在气相中已通过实验检测了由CH键亲电活化形成的带电和不带电产物。HO 2 。自由基是通过涉及原型氧中心自由基阳离子O 2。+和甲烷衍生物CH 2 F 2的过程形成的。
• Translational and internal energy effects in reactions of O+ and O+2 with SiF4
  作者：Ellen R. Fisher、P.B. Armentrout

  DOI：10.1016/0009-2614(91)87082-m

  日期：1991.5

  as a function of kinetic energy for reaction of SiF4 with O+(4S) and O+2 (2Πg, ν = O). Reactions of excited O+2 ions are also examined and are found to react more efficiently than ground state ions. The major reactions are dissociative charge transfer processes, although O+ also reacts to form OF + SiF+3 efficiently and O+2 reacts to form minor amounts of SiOF+x (x = 1−3).

  引导离子束技术被用于测量的横截面为动能为的SiF的反应的功能4为O +（4 S）和O + 2（2 Π克，ν= O）。还检查了激发的O + 2离子的反应，发现它们比基态离子更有效地反应。主要的反应是解离的电荷转移过程，尽管O +也有效地反应形成OF + SiF + 3，O + 2反应而形成少量的SiOF + x（x = 1-3）。
• Kinetics of the reaction of O2+ with CH4 from 500 to 1400 K: A case for state specific chemistry
  作者：Itzhak Dotan、A. A. Viggiano

  DOI：10.1063/1.1352033

  日期：2001.4.8

  Rate constants and branching ratios have been measured for the reaction of O2+ with CH4 over the temperature range from 500 to 1400 K. The rate constants increase dramatically over this temperature range, in good agreement with a previous study from our laboratory. A complex chemistry was found. The main product at low temperature, CH2O2H+, disappears almost completely at high temperature, in part

  在 500 至 1400 K 的温度范围内测量了 O2+ 与 CH4 反应的速率常数和支化率。速率常数在此温度范围内显着增加，与我们实验室先前的研究非常一致。发现了一种复杂的化学反应。低温下的主要产物 CH2O2H+ 在高温下几乎完全消失，部分原因是热解离。高温下的主要产物是CH4+和HCO+；后一种离子以前没有被观察到。在高温下同样突出的是 H3O+ 和 CH3+。在所有温度下都观察到少量 CH3O+。在高温下观察到少量 H2O+。还报告了 O2+ 与 CD4 反应的支化比，证实了离子分配。与漂移管和光束结果的比较表明，CH4 的振动激发比其他形式的能量更能促进这些通道中的几个。通过 t-CH3OOH+ 2A″ 中间通道的通道...