iodine dioxide | 13494-92-3

• 分子结构分类: 无机化合物 - 均质非金属化合物 - 卤代有机物
• 英文名称: iodine dioxide
• CAS: 13494-92-3
• 化学式: IO₂
• 分子量: 158.903
• InChiKey: WXDJHDMIIZKXSK-UHFFFAOYSA-N

物化性质

• 密度：
  4.200

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  3
• 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：

  iodine dioxide 、 氧化亚氮 以 neat (no solvent, gas phase) 为溶剂， 生成 iodine monoxide 、 二氧化氮
  参考文献：
  名称：

  An Experimental and Theoretical Study of the Reactions OIO + NO and OIO + OH

  摘要：

  The kinetics of the reaction OIO + NO were studied by pulsed laser photolysis/time-resolved cavity ring-down spectroscopy, yielding k(235-320 K) = 7.6(-3.1)(+4.0) x 10(-13) exp[(607 +/- 128)/T] cm(3) molecule(-1) s(-1). Quantum calculations on the OIO + NO potential-energy surface show that the reactants form a weakly bound OIONO intermediate, which then dissociates to the products IO + NO2. Rice-Ramsberger-Kassel-Markus (RRKM) calculations on this surface are in good accord with the experimental result. The most stable potential product, IONO2, cannot form because of the significant rearrangement of OIONO that would be required. The reaction OIO + OH was then investigated by quantum calculations of the relevant stationary points on its potential-energy surface. The very stable HOIO2 molecule can form by direct recombination, but the bimolecular reaction channels to HO2 + IO and HOI + 02 are closed because of significant energy barriers. RRKM calculations of the HOIO2 recombination rate coefficient yield k(rcc,0) = 1.5 x 10(-27) (T/300 K)(-3.93) cm(6) molecule(-2) s(-1), k(rec,infinity) = 5.5 x 10(-10) exp(46/T) cm(3) molecule(-1) s(-1), and F-c = 0.30. The rate coefficients of both reactions are fast enough around 290 K and 1 atm pressure for these reactions to play a potentially important role in the gas phase and aerosol chemistry in the marine boundary layer of the atmosphere.

  DOI：

  10.1021/jp055364y
• 作为产物：
  描述：

  iodine superoxide 以 neat (no solvent) 为溶剂， 生成 iodine dioxide
  参考文献：
  名称：

  Maicr, Guenther; Bothur, Axel, Chemische Berichte, 1997, vol. 130, # 2, p. 179 - 181

  摘要：

  DOI：

文献信息

• Rotational spectroscopy of IO X 2Πi
  作者：Charles E. Miller、Edward A. Cohen

  DOI：10.1063/1.1398308

  日期：2001.10.8

  Pure rotational spectra of the IO radical have been observed for vibrational levels up to v=13 in the X1 2Π3/2 state and up to v=9 in the X2 2Π1/2 state. Isotopically enriched I18O rotational spectra have been observed for vibrational levels up to v=5 in both the X1 and X2 states. These are the first high-resolution spectra of any kind reported for the X2 state and greatly extend the available data

  对于在 X1 2Π3/2 状态下高达 v=13 和在 X2 2Π1/2 状态下高达 v=9 的振动能级，观察到 IO 自由基的纯旋转光谱。已观察到在 X1 和 X2 状态下振动能级高达 v=5 的同位素富集的 I18O 旋转光谱。这是针对 X2 状态报告的任何类型的第一个高分辨率光谱，并极大地扩展了 X1 状态的可用数据。两种同位素的数据已同时拟合到具有固定同位素比率的一组 2π 参数。参数之间的同位素关系提供了一种将电子自旋旋转常数 γ 与精细结构离心畸变常数 AD 解相关的方法，并允许首次确定 γ 的有效值。旋转振动常数对应于平衡分子性质 re(X1)=186.762 pm、re(X2)=188.468 pm、ωe(X1)=681.69 cm-1 和 ωe(X2)=645.29 cm-1。这些常数已用于计算 X1 和 X2 Rydber...
• Optical Properties and Chemical Compositions of Iodine-Containing Aerosols Produced from the Atmospheric Photolysis of Methylene Iodide in the Presence of Ozone
  作者：Yosuke Sakamoto、Akihiro Yabushita、Masahiro Kawasaki、Tomoki Nakayama、Yutaka Matsumi

  DOI：10.1246/bcsj.82.910

  日期：2009.7.15

  Optical properties of iodine-containing aerosols that were produced by ultraviolet photoirradiation of a mixture gas of CH 2 I 2 and O 3 with dry air diluent have been measured using a nephelometer, a particle soot absorption photometer and a cavity ring-down spectrometer. Single scattering albedo of iodine aerosols was determined to be 0.96 ± 0.01 at around 530 nm. Chemical compositions of the aerosols

  已使用浊度计、粒子烟灰吸收光度计和腔衰荡光谱仪测量了通过 CH 2 I 2 和 O 3 的混合气体与干燥空气稀释剂的紫外光照射产生的含碘气溶胶的光学性质。碘气溶胶的单次散射反照率在 530 nm 附近测定为 0.96 ± 0.01。使用激光电离单粒子气溶胶质谱仪测量与 0.2-1 μm 范围内的粒径相关的气溶胶的化学成分。碘和氧化碘的正负离子信号，IO n (n = 0-4)、I 2 O n (n = 0-6) 和 I 3 O n (n = 0-1)，含碳化合物和 HOI 被检测到。
• Kinetics and Products of the IO Self-Reaction
  作者：William J. Bloss、David M. Rowley、R. Anthony Cox、Roderic L. Jones

  DOI：10.1021/jp0044936

  日期：2001.8.1

  production (channel 8a). Using a value of 0.7 for the branching ratio for IO production (k8a/k8), k8 was found to be (3.6 ± 2.4) × 10-11 cm3 molecule-1 s-1 at 295 K, with no significant temperature dependence between 210 and 333 K. Sensitivity tests using a kinetic model showed that, in addition to (1), decay traces were also sensitive to the rate coefficient for reaction 12:  I + BrO → Br + IO. This rate

  已经使用具有时间分辨的紫外-可见吸收光谱的激光光解技术研究了气相 BrO 和 IO 自由基之间反应 1 的动力学和产物。发现用作 IO 和 BrO 自由基的一种来源的 O + IBr 反应 8 在 295 K 时主要产生 IO 自由基。反应 8 的速率系数与 IO 产生的支化比相关（通道 8a）。使用 0.7 的值作为 IO 生产的支化比 (k8a/k8)，发现 k8 在 295 K 时为 (3.6 ± 2.4) × 10-11 cm3 分子-1 s-1，在 210 之间没有显着的温度依赖性和 333 K. 使用动力学模型进行的灵敏度测试表明，除了 (1) 之外，衰变迹线对反应 12 的速率系数也很敏感：I + BrO → Br + IO。该比率系数被发现为 (1.3 ± 1.
• Determination of the O–IO bond dissociation energy by photofragment excitation spectroscopy
  作者：Juan C. Gómez Martín、John M.C. Plane

  DOI：10.1016/j.cplett.2009.04.052

  日期：2009.5

  combined with laser induced fluorescence of IO has been used to study the photofragment excitation spectrum of OIO. Analysis of the O–IO dissociation threshold observed around 480 nm provides the first experimental determinations of the OIO bond dissociation energy and heat of formation at 298 K, which are given by D0∘(O–IO)=(248.8±1.0)kJmol-1 and ΔfH298∘(OIO)=(118.5±2.0)kJmol-1, respectively.

  脉冲激光光解结合激光诱导的IO荧光已被用于研究OIO的光碎裂激发光谱。对在480 nm附近观察到的O–IO解离阈值的分析提供了298 K时OIO键解离能和形成热的第一个实验测定，由D0∘（O–IO）=（248.8±1.0）kJmol- 1和ΔfH298∘（OIO）＝（118.5±2.0）kJmol-1 。
• Insights into the Chemistry of Iodine New Particle Formation: The Role of Iodine Oxides and the Source of Iodic Acid
  作者：Juan Carlos Gómez Martín、Thomas R. Lewis、Alexander D. James、Alfonso Saiz-Lopez、John M. C. Plane

  DOI：10.1021/jacs.1c12957

  日期：2022.6.1

  dominant role of iodic acid (HIO3) in iodine-driven particle formation. Here, we report flow tube laboratory experiments that solve these discrepancies by showing that both IxOy and HIO3 are involved in atmospheric new particle formation. I2Oy molecules (y = 2, 3, and 4) react with nitrate core ions to generate mass spectra similar to those obtained by CIMS, including the iodate anion. Iodine pentoxide (I2O5)

  碘化学是海洋和极地边界层中新粒子形成的重要驱动力。然而，关于碘气体到粒子的转化是如何进行的，存在着相互矛盾的观点。实验室研究表明，碘的光氧化会产生碘氧化物 (I x O y )，这是众所周知的粒子前体。相比之下，在现场和环境室研究中的硝酸根阴离子化学电离质谱 (CIMS) 观察结果已被解释为碘酸 (HIO 3 ) 在碘驱动的粒子形成中的主要作用的证据。在这里，我们报告了通过显示 I x O y和 HIO 3来解决这些差异的流管实验室实验参与大气新粒子的形成。I 2 O y分子（y = 2、3 和 4）与硝酸根核心离子反应生成类似于 CIMS 获得的质谱，包括碘酸根阴离子。由高阶 I x O y光解产生的五氧化二碘 (I 2 O 5 )可能被水二聚体水解，产生 HIO 3，这也有助于碘酸盐阴离子信号。我们估计，硝酸盐 CIMS 在大气水蒸气浓度下观察到的碘酸盐阴离子信号中约有 50% 来自 I