Acta Chimica Sinica ›› 2001, Vol. 59 ›› Issue (4): 610-614. Previous Articles     Next Articles

Original Articles

甲烷-空气-H2O模拟光化学反应体系中CH3OO·自身复合反 应的研究

齐斌;苏克和;胡敏;陈忠明;张远航;唐孝炎   

  1. 陕西师范大学化学系.西安(710062);西北工业大学化工系;北京大学环境模拟 与污染控制国家重点联合实验室;北京大学环境科学中心.北京(100871)
  • 出版日期:2001-04-15 发布日期:2001-04-15

Studies on the self-reaction of CH3OO·radicals formed in the methane-ar-H2O photoreaction system

Qi Bin;Su Kehe;Hu Min;Chen Zhongming;Zhang Yuanhang;Tang Xiaoyan   

  1. Shanxi Normal Univ, Dept Chem.Xian(710062);Beijing Univ., Center of Environmental Sci..Beijing(100871)
  • Online:2001-04-15 Published:2001-04-15

The self-reaction of CH3OO· radicals in the presence of water has been studied at 298 K in 1.013×10^5 Pa of synthetic air . Reactants and products are detected by LP-FTIR absorption spectrometer and high-performance liguid chromatography (HPLC). CH3OOH and CH3OOCH3 are proved to be among the products of the self-reaction of CH3OO·. In addition, HOCH2OOH is identified for the first time in the reaction system. The finding of HOCH2OOH shows that the path to form Griegee intermediate ·CH2OO· is possible in the self-reaction of CH3OO·. Ab initio calculations at the G2, G2(MP2) and G2(ful) levels further indicate that it is favorable in thermodynamics for both the self reaction of CH3OO· to form·CH2OO· and the reaction of ·CH2OO· withwater to produce HMHP.

Key words: METHANE, AIR, WATER, PHOTOCHEMICAL REACTION, FREE RADICALS, INFRARED SPECTROPHOTOMETRY, HIGH SPEED LIQUID CHROMATOGRAPHY

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