首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >The Conversion of Methane to Methanol:A Reaction Catalyzed by I~+ or I_2~+?
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The Conversion of Methane to Methanol:A Reaction Catalyzed by I~+ or I_2~+?

机译:甲烷转化为甲醇:I〜+或I_2〜+?催化的反应

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摘要

The gas-phase reactions of I~+ and I_2~+ with methane were studied to determine which species is involved in the oxidation of methane to methyl sulfate,an intermediate in the production of methanol.We found that while I~+ reacts readily with methane,I_2~+ does not react in our experimental reaction conditions.Reaction products and rate constants are measured and reported.In addition,ab initio calculations were carried out to further understand the reaction mechanism.A revised mechanism of catalysis is proposed which is in excellent agreement with available experimental data and our theoretical computations.
机译:研究了I〜+和I_2〜+与甲烷的气相反应,确定了甲烷氧化为甲醇生产中的中间体甲烷氧化为甲基的过程。甲烷,I_2〜+在我们的实验反应条件下不发生反应。测量并报告了反应产物和速率常数。此外,从头开始计算以进一步了解反应机理。提出了一种改进的催化机理与现有的实验数据和我们的理论计算非常吻合。

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