• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Experimental and Theoretical Studies of the Kinetics of the OH + HydroxyacetoneReaction As a Function of Temperature
【24h】

Experimental and Theoretical Studies of the Kinetics of the OH + HydroxyacetoneReaction As a Function of Temperature

机译：OH +羟基丙酮反应动力学随温度变化的实验和理论研究

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

The rate constant for the reaction of the OH radical with hydroxyacetone was measured between 2 and 5Ton and over the temperature range of 280-350 K, using a discharge-flow system coupled with resonancefluorescence detection of the OH radical. At 298 K the rate constant was found to be (3.02 ± 0.28) x 10-12cm3 molecule~(-1) s~(-1),in excellent agreement with several previous studies. A positive temperature dependencewas measured over the temperature range 280-350 K, described by the Arrhenius expression k = (1.88 ±0.75) x 10~(-1)exp[-(545 f 60)/T] cm~3molecule~(-1)s~(-1), in contrast to previous measurements of the temperaturedependence for this reaction and suggesting that the atmospheric lifetime of hydroxyacetone may be greaterthan previously estimated. Theoretical calculations of the potential energy surface for this reaction suggestthat the mechanism for this reaction involves hydrogen abstraction through a hydrogen-bonded prereactivecomplex similar to the OH + acetone reaction, with a calculated barrier height between -1 and 1 kcal mol"depending on the level of theory.
机译：使用放电流系统结合OH自由基的共振荧光检测，测量了OH自由基与羟基丙酮反应的速率常数，范围为2至5Ton，并且在280-350 K的温度范围内。发现在298 K时速率常数为（3.02±0.28）x 10-12cm3分子〜（-1）s〜（-1），这与先前的一些研究非常吻合。在280-350 K的温度范围内测得正温度依赖性，由Arrhenius表达式k =（1.88±0.75）x 10〜（-1）exp [-（545 f 60）/ T] cm〜3分子〜（- 1）s〜（-1），与先前对该反应的温度依赖性的测量结果相反，表明羟丙酮的大气寿命可能比先前估计的更长。该反应的势能面的理论计算表明，该反应的机理涉及通过类似于OH +丙酮反应的氢键预反应复合物提取氢，计算的势垒高度在-1和1 kcal mol之间，具体取决于水平理论。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号