sulfur oxide oxide-18O | 14899-63-9

• 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: sulfur oxide oxide-18O
• CAS: 14899-63-9
• 化学式: O₂S
• 分子量: 66.0654
• InChiKey: RAHZWNYVWXNFOC-NJFSPNSNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.67
• 重原子数：
  3.0
• 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：
  34.14
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  sulfur oxide oxide-18O 、 二甲胺 生成
  参考文献：
  名称：

  Structure of the dimethylamine-sulfur dioxide complex

  摘要：

  The microwave spectrum of the charge-transfer complex between dimethylamine and sulfur dioxide was studied with a pulsed molecular beam Fourier transform microwave spectrometer. The rotational constants (in MHz) of (CH3)2NH.SO2 are A = 4445.495 (3), B = 2063.031 (1), and C = 1752.470 (1). In addition to the normal isotopic form, the rotational spectra of the (CH3)2NH.34SO2, (CH3)2(15)NH.SO2, (CH3)2ND.SO2, and two (CH3)2NH.SO18O isotopic species were assigned. Stark effect measurements gave electric dipole components of mu-a = 4.025 (1), mu-c = 1.747 (2), and mu-total = 4.388 (1) D. The structure of this complex lacks any symmetry plane. The nitrogen lone pair points toward the S atom, nearly perpendicular to the plane of the sulfur dioxide, and one methyl group staggers the oxygen atoms. The nitrogen-to-sulfur distance of 2.34 (3) angstrom is about 0.08 angstrom longer than in the trimethylamine-SO2 complex which correlates with the relative strength of the complexes. From the dipole moment and the nitrogen nuclear quadrupole coupling constants, an upper limit is estimated for electron transfer from the nitrogen to the sulfur atom of 0.25 electron. Ab initio calculations also conclude that a methyl group staggers the two oxygens of SO2.

  DOI：

  10.1021/j100172a022
• 作为产物：
  描述：

  二氧化硫 、 Sulfur dioxide-18O2, 95 atom % 18O 生成 sulfur oxide oxide-18O
  参考文献：
  名称：

  某些酸性溶剂中的交换反应

  摘要：

  DOI：

  10.1021/j150573a013

文献信息

• Capture of SO₃isomers in the oxidation of sulfur monoxide with molecular oxygen
  作者：Zhuang Wu、Bo Lu、Ruijuan Feng、Jian Xu、Yan Lu、Huabin Wan、André K. Eckhardt、Peter R. Schreiner、Changjian Xie、Hua Guo、Xiaoqing Zeng

  DOI：10.1039/c7cc09389f

  日期：——

  When mixing SO with O2 in N2, Ne, or Ar, an end-on complex OS–OO forms in the gas phase and can subsequently be trapped at cryogenic temperatures (2.8–15.0 K). Upon infrared light irradiation, OS–OO converts to SO3 and SO2 + O with the concomitant formation of a rare 1,2,3-dioxathiirane 2-oxide, i.e., cyclic OS(O)O. Unexpectedly, the ring-closure of 16OS–18O18O yields a ca. 2 : 1 mixture of cyclic

  当将SO与O 2混合在N 2，Ne或Ar中时，在气相中形成端基复合物OS-OO，随后可以在低温（2.8-15.0 K）下捕获。在红外光照射下，OS-OO转化为SO 3和SO 2 + O，并伴有稀有的1,2,3-二氧杂环丁烷2-氧化物，即环状OS（O）O。出乎意料的是，16 OS - 18 O 18 O的闭环产生一个约。环状18 OS（16 O）18 O和16 OS（18 O）18的2：1混合物O.高级别的从头算计算支持OS-OO和OS（O）O的IR和UV / Vis光谱表征。
• Adsorption and reaction of sulfur dioxide with Cu(110) and Cu(110)-p(2×1)-O
  作者：Ali R. Alemozafar、Xing-Cai Guo、Robert J. Madix

  DOI：10.1063/1.1450545

  日期：2002.3.15

  On Cu(110)-p(2×1)-O at 300 K SO2(g) reacts stoichiometrically with O(a) to form a surface covered with both c(4×2)-SO3 and p(2×2)-SO3 structures. With heating SO2(g) evolves from the surface in distinct reaction-limited states at 384 K, 425 K, and 470 K, and the surface reverts to its initially oxidized state. On Cu(110), SO2(g) adsorbs molecularly below 300 K; upon annealing to 300 K, the sulfur dioxide

  在 Cu(110)-p(2×1)-O 上，300 K SO2(g) 与 O(a) 发生化学计量反应，形成覆盖有 c(4×2)-SO3 和 p(2×2) 的表面-SO3 结构。随着加热，SO2(g) 在 384 K、425 K 和 470 K 时以不同的反应受限状态从表面释放出来，并且表面恢复到其最初的氧化状态。在 Cu(110) 上，SO2(g) 在 300 K 以下分子吸附；在退火到 300 K 时，二氧化硫按照 3SO2(a)→S(a)+2SO3(a) 歧化，同时解吸过量的 SO2(a)。以这种方式形成的表面表现出大的 c(2×2)-S 结构域，该结构域以 1:2 的覆盖率包含分散的 c(4×2)-SO3 和 p(2×2)-SO3 结构。退火到 400 K 后，表面呈现出较大的 p(2×2)-SO3 域，围绕着较小的 c(4×2)-SO3 和 c(2×2)-S 岛。继续加热超过 400
• Isotope specific photodissociation of SO2 at 193.3 nm
  作者：Peter Felder、Bernd-Michael Haas、J. Robert Huber

  DOI：10.1016/0009-2614(93)90004-k

  日期：1993.3

  The 193 nm photodissociation of the isotopomers SO2, SO*2 and SOO* (with O*=18O) was studied by high-resolution photo-fragment translational spectroscopy. The translational energy distributions P(ET) of the fragment pairs SO+O, SO*+O*, SO+O* and SO*+O were determined from systematic analysis of the time-of-flight distributions obtained with various degrees of O* substitution and were found to be significantly

  通过高分辨率的光碎片平移光谱学研究了同位素异构体SO 2，SO * 2和SOO *（O * = 18 O）的193 nm光解离。片段对SO + O，SO * + O *，SO + O *和SO * + O的平移能量分布P（E T）是通过对不同程度的飞行时间分布的系统分析确定的Ø *由于双原子片段的旋转振动分布不同，因此取代存在明显差异。在对称异构体SO 2和SO * 2的情况下，P（E T）分布的差异归因于母体分子的C̃电子带中的状态激发略有不同。的SO和SO *不对称SO0的键断裂*具有相等的概率，但导致在SO不同的能量分布和SO *片段，反映了在两个反应模式的解离动力学的细微差别。
• Huston, J. L., Nuclear science abstracts, AECU-1105 (1951), 1951, vol. 5, p. 199
  作者：Huston, J. L.

  DOI：——

  日期：——
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: S: SVol.3, 3.1.7.3, page 280 - 281
  作者：

  DOI：——

  日期：——