A mechanistic study of a gas-phase ion/molecule reaction between CH2NH2+ and CH4.
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概要
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A gas-phase ion/molecule reaction starting from (CH<SUB>4</SUB><SUP>+</SUP> and N<SUB>2</SUB>O)/(CH<SUB>4</SUB> and N<SUB>2</SUB>O<SUP>+</SUP>) is studied using a pulsed-discharge high-pressure mass spectrometer and the ab initio MO calculation. Two dominant ions, C<SUB>2</SUB>H<SUB>6</SUB>N<SUP>+</SUP> and C<SUB>3</SUB>H<SUB>8</SUB>N<SUP>+</SUP>, are recognized; they are formed by the methylation of CH<SUB>4</SUB>N<SUP>+</SUP>. The C<SUB>2</SUB>H<SUB>6</SUB>N<SUP>+</SUP> is formed via the following two reactions:<BR>CH<SUB>2</SUB>NH<SUB>2</SUB><SUP>+</SUP>(or CH<SUB>3</SUB>NH<SUP>+</SUP>)+CH<SUB>4</SUB> → (CH<SUB>3</SUB>)<SUB>2</SUB>NH<SUB>2</SUB><SUP>+</SUP> (5)<BR>(CH<SUB>3</SUB>)<SUB>2</SUB>NH<SUB>2</SUB><SUP>+</SUP> → CH<SUB>3</SUB>NHCH<SUB>2</SUB><SUP>+</SUP>+H<SUB>2</SUB> (7)<BR>The methylation is composed of the heterolytic CH<SUB>3</SUB><SUP>+</SUP>–H<SUP>−</SUP> addition to the C=N bond of CH<SUB>4</SUB>N<SUP>+</SUP> and the subsequent H<SUB>2</SUB> elimination. The growth of the ion by the methylation is largely exothermic, while the H<SUB>2</SUB> elimination has a large energy barrier on the potential energy surface.
- 公益社団法人 日本化学会の論文
著者
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OKADA SATOSHI
Radiation Center of Osaka Prefecture
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TANIGUCHI SETSUO
Radiation Center of Osaka Prefecture
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Abe Yasuo
Radiation Center of Osaka Prefecture
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Yamabe Shinichi
Educational Technology Center, Nara University of Education
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Minato Tsutomu
Educational Technology Center, Nara University of Education
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